tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-1H-imidazo[4,5-b]pyridine);2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;2-methylpyrazolo[1,5-a]pyridine

C281H412N44O11S5 — CID 157379360

IUPACtert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-1H-imidazo[4,5-b]pyridine);2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;2-methylpyrazolo[1,5-a]pyridine
SMILESCC(C)(C)C1CCOC1.CC(C)(C)C1CCOCC1.CC(C)(C)c1cc2ccccn2n1.CC(C)(C)c1cc2n(n1)CCOC2.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccno1.CC(C)(C)c1ccon1.CC(C)(C)c1ccsc1.CC(C)(C)c1cn2c(n1)COCC2.CC(C)(C)c1cn2ccccc2n1.CC(C)(C)c1cn2ncccc2n1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1cnoc1.CC(C)(C)c1cscn1.CC(C)(C)c1nc2c(s1)CCOC2.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nc2ncccc2[nH]1.CC(C)(C)c1nc2ncccc2[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1noc2ccccc12.Cc1cc2ccccn2n1
InChIInChI=1S/2C11H14N2.2C11H13NO.C11H13NS.3C10H13N3.2C10H16N2O.C10H15NOS.C10H14.3C9H13N.C9H18O.C8H8N2.3C8H12N2.C8H16O.C8H12O.2C8H12S.4C7H12N2.3C7H11NO.C7H11NS/c1-11(2,3)9-8-13-7-5-4-6-10(13)12-9;1-11(2,3)10-8-9-6-4-5-7-13(9)12-10;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)10-8-6-4-5-7-9(8)13-12-10;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)8-7-13-9(12-8)5-4-6-11-13;2*1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-10(2,3)8-6-12-4-5-13-7-9(12)11-8;1-10(2,3)9-6-8-7-13-5-4-12(8)11-9;1-10(2,3)9-11-7-6-12-5-4-8(7)13-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-4-6-10-7-5-8;1-7-6-8-4-2-3-5-10(8)9-7;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-5-4-6-9-10-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-9-5-8-6/h2*4-8H,1-3H3;4*4-7H,1-3H3;2*4-6H,1-3H3,(H,11,12,13);2*6H,4-5,7H2,1-3H3;4-6H2,1-3H3;4-8H,1-3H3;3*4-7H,1-3H3;8H,4-7H2,1-3H3;2-6H,1H3;3*4-6H,1-3H3;7H,4-6H2,1-3H3;3*4-6H,1-3H3;4*4-5H,1-3H3,(H,8,9);4*4-5H,1-3H3
InChIKeyBKRPPDWYWBNNOK-UHFFFAOYSA-N
MW4743.02 g/mol
LogP73.05
Rot. Bonds

About tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-1H-imidazo[4,5-b]pyridine);2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;2-methylpyrazolo[1,5-a]pyridine

tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-1H-imidazo[4,5-b]pyridine);2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;2-methylpyrazolo[1,5-a]pyridine (PubChem CID 157379360) has the molecular formula C281H412N44O11S5 and a molecular weight of 4743.02 g/mol. Its IUPAC name is tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-1H-imidazo[4,5-b]pyridine);2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;2-methylpyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Nametert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-1H-imidazo[4,5-b]pyridine);2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;2-methylpyrazolo[1,5-a]pyridine
PubChem CID157379360
Molecular FormulaC281H412N44O11S5
Molecular Weight4743.02 g/mol
Exact Mass4739.16
IUPAC Nametert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-1H-imidazo[4,5-b]pyridine);2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;2-methylpyrazolo[1,5-a]pyridine
SMILESCC(C)(C)C1CCOC1.CC(C)(C)C1CCOCC1.CC(C)(C)c1cc2ccccn2n1.CC(C)(C)c1cc2n(n1)CCOC2.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccno1.CC(C)(C)c1ccon1.CC(C)(C)c1ccsc1.CC(C)(C)c1cn2c(n1)COCC2.CC(C)(C)c1cn2ccccc2n1.CC(C)(C)c1cn2ncccc2n1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1cnoc1.CC(C)(C)c1cscn1.CC(C)(C)c1nc2c(s1)CCOC2.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nc2ncccc2[nH]1.CC(C)(C)c1nc2ncccc2[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1noc2ccccc12.Cc1cc2ccccn2n1
InChIInChI=1S/2C11H14N2.2C11H13NO.C11H13NS.3C10H13N3.2C10H16N2O.C10H15NOS.C10H14.3C9H13N.C9H18O.C8H8N2.3C8H12N2.C8H16O.C8H12O.2C8H12S.4C7H12N2.3C7H11NO.C7H11NS/c1-11(2,3)9-8-13-7-5-4-6-10(13)12-9;1-11(2,3)10-8-9-6-4-5-7-13(9)12-10;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)10-8-6-4-5-7-9(8)13-12-10;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)8-7-13-9(12-8)5-4-6-11-13;2*1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-10(2,3)8-6-12-4-5-13-7-9(12)11-8;1-10(2,3)9-6-8-7-13-5-4-12(8)11-9;1-10(2,3)9-11-7-6-12-5-4-8(7)13-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-4-6-10-7-5-8;1-7-6-8-4-2-3-5-10(8)9-7;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-5-4-6-9-10-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-9-5-8-6/h2*4-8H,1-3H3;4*4-7H,1-3H3;2*4-6H,1-3H3,(H,11,12,13);2*6H,4-5,7H2,1-3H3;4-6H2,1-3H3;4-8H,1-3H3;3*4-7H,1-3H3;8H,4-7H2,1-3H3;2-6H,1H3;3*4-6H,1-3H3;7H,4-6H2,1-3H3;3*4-6H,1-3H3;4*4-5H,1-3H3,(H,8,9);4*4-5H,1-3H3
InChIKeyBKRPPDWYWBNNOK-UHFFFAOYSA-N
XLogP73.05
TPSA659.71 Ų
H-Bond Donors6
H-Bond Acceptors54
Rotatable Bonds
Heavy Atoms341
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004743.02
LogP ≤ 573.05
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1054

Analyze tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-1H-imidazo[4,5-b]pyridine);2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;2-methylpyrazolo[1,5-a]pyridine with MolForge

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Launch Full Analysis

Related Compounds

CID 157164204
CID 157164204
4-tert-butyl-2-methyl-1,3-thiazole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,2-dimethylbenzimidazole;2-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-4-phenyl-1,3-oxazole;2-methyl-5-phenyl-1,3-oxazole;5-methyl-1-phenyltetrazole;2-methyl-4-phenyl-1,3-thiazole;2-methyl-5-phenyl-1,3-thiazole;4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)methyl]morpholine;5-methyl-3-phenyl-1H-1,2,4-triazole;2-methyl-5-(piperidin-1-ylmethyl)-1,3-thiazole;2-methyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole;2-methyl-1,3-thiazole;4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine;4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 157257748
2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-1H-imidazole;4-methyl-1H-indazole;1-methylisoquinoline;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 157451853
1-benzofuran;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrazin-2-amine;2,3-dimethylpyridine;3,5-dimethylpyridine;N,N-dimethylpyrimidin-2-amine;2,4-dimethyl-1,3-thiazole;2-ethyl-6-methoxypyridine;N-ethyl-N-methyl-1,3-thiazol-2-amine;2-fluoro-3-methylpyridine;2-fluoropyridine;4-fluoropyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyrazine;2-methylpyridine;tris(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-propylpyrazole;1H-pyrido[3,4-b][1,4]thiazine;2-pyrrolidin-1-yl-1,3-thiazole;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine
CID 157457452
1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole
CID 157712548
CID 157902277
CID 157902277
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;5-(1,1-difluoroethyl)-1-methylpyrazole;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;methane;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 157989050
2-chloro-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-3-propan-2-yl-2H-pyrrole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine
CID 158019428
1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;5H-imidazo[1,2-b]pyrazole;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,2,4-triazine;1,3,5-triazine;5-(trifluoromethyl)-1H-pyrazole
CID 158082249
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;bis(thieno[2,3-c]pyridine);thiophene;1,3,5-triazine;5-(trifluoromethyl)-1H-pyrazole
CID 158113572
3-tert-butyl-5-methyl-1,2,4-oxadiazole;N-tert-butyl-5-methyl-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-cyclopropyl-5-methyl-1,2,4-oxadiazole;3-cyclopropyl-5-methyl-1H-1,2,4-triazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1H-pyrazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;2,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;2-ethyl-5-methyltetrazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;5-methyl-1,2,4-oxadiazole-3-carboxylic acid;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpyrimidine;2-methyl-4,5,6,7-tetrahydro-3H-indole;5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 158248952
CID 159108040
CID 159108040

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-1H-imidazo[4,5-b]pyridine);2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;2-methylpyrazolo[1,5-a]pyridine?
The IUPAC name of tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-1H-imidazo[4,5-b]pyridine);2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;2-methylpyrazolo[1,5-a]pyridine (CID 157379360) is tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-1H-imidazo[4,5-b]pyridine);2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;2-methylpyrazolo[1,5-a]pyridine.
What is the SMILES notation for tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-1H-imidazo[4,5-b]pyridine);2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;2-methylpyrazolo[1,5-a]pyridine?
The canonical SMILES for tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-1H-imidazo[4,5-b]pyridine);2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;2-methylpyrazolo[1,5-a]pyridine is CC(C)(C)C1CCOC1.CC(C)(C)C1CCOCC1.CC(C)(C)c1cc2ccccn2n1.CC(C)(C)c1cc2n(n1)CCOC2.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccno1.CC(C)(C)c1ccon1.CC(C)(C)c1ccsc1.CC(C)(C)c1cn2c(n1)COCC2.CC(C)(C)c1cn2ccccc2n1.CC(C)(C)c1cn2ncccc2n1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1cnoc1.CC(C)(C)c1cscn1.CC(C)(C)c1nc2c(s1)CCOC2.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nc2ncccc2[nH]1.CC(C)(C)c1nc2ncccc2[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1noc2ccccc12.Cc1cc2ccccn2n1.
What is the InChIKey of tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-1H-imidazo[4,5-b]pyridine);2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;2-methylpyrazolo[1,5-a]pyridine?
The InChIKey is BKRPPDWYWBNNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H14N2.2C11H13NO.C11H13NS.3C10H13N3.2C10H16N2O.C10H15NOS.C10H14.3C9H13N.C9H18O.C8H8N2.3C8H12N2.C8H16O.C8H12O.2C8H12S.4C7H12N2.3C7H11NO.C7H11NS/c1-11(2,3)9-8-13-7-5-4-6-10(13)12-9;1-11(2,3)10-8-9-6-4-5-7-13(9)12-10;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)10-8-6-4-5-7-9(8)13-12-10;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)8-7-13-9(12-8)5-4-6-11-13;2*1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-10(2,3)8-6-12-4-5-13-7-9(12)11-8;1-10(2,3)9-6-8-7-13-5-4-12(8)11-9;1-10(2,3)9-11-7-6-12-5-4-8(7)13-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-4-6-10-7-5-8;1-7-6-8-4-2-3-5-10(8)9-7;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-5-4-6-9-10-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-9-5-8-6/h2*4-8H,1-3H3;4*4-7H,1-3H3;2*4-6H,1-3H3,(H,11,12,13);2*6H,4-5,7H2,1-3H3;4-6H2,1-3H3;4-8H,1-3H3;3*4-7H,1-3H3;8H,4-7H2,1-3H3;2-6H,1H3;3*4-6H,1-3H3;7H,4-6H2,1-3H3;3*4-6H,1-3H3;4*4-5H,1-3H3,(H,8,9);4*4-5H,1-3H3.
What are the key properties of tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-1H-imidazo[4,5-b]pyridine);2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;2-methylpyrazolo[1,5-a]pyridine?
tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-1H-imidazo[4,5-b]pyridine);2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;2-methylpyrazolo[1,5-a]pyridine has a molecular weight of 4743.02 g/mol, XLogP of 73.05, 0 rotatable bonds, 6 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-1H-imidazo[4,5-b]pyridine);2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;2-methylpyrazolo[1,5-a]pyridine is sourced from PubChem (CID 157379360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).