2,2-dimethyl-4-propan-2-yl-3,5-dihydro-1,4-benzoxazepine;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-7H-cyclopenta[b]pyridine;5-propan-2-yl-1,3-dihydro-2-benzofuran;4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydroisoindol-1-one;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-indene;2-propan-2-ylquinoline;3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-ylthieno[2,3-b]pyridine

C180H226N12O8S2 — CID 159845535

IUPAC2,2-dimethyl-4-propan-2-yl-3,5-dihydro-1,4-benzoxazepine;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-7H-cyclopenta[b]pyridine;5-propan-2-yl-1,3-dihydro-2-benzofuran;4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydroisoindol-1-one;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-indene;2-propan-2-ylquinoline;3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-ylthieno[2,3-b]pyridine
SMILESCC(C)C1=Cc2ccccc2C1.CC(C)C1=Cc2cccnc2C1.CC(C)N1CCOc2ccccc2C1.CC(C)N1CCc2ccccc2CC1.CC(C)N1Cc2ccccc2OC(C)(C)C1.CC(C)c1cc2cccnc2o1.CC(C)c1cc2cccnc2s1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CNC2=O.CC(C)c1ccc2c(c1)COC2.CC(C)c1ccc2c(n1)CCC2.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2occc2c1.CC(C)c1nc2c(s1)CNCC2
InChIInChI=1S/C14H21NO.C13H19N.C12H17NO.C12H13N.C12H16.C12H14.C11H13NO.C11H13N.C11H15N.C11H14O.2C11H12O.2C10H11NO.C10H11NS.C9H14N2S/c1-11(2)15-9-12-7-5-6-8-13(12)16-14(3,4)10-15;1-11(2)14-9-7-12-5-3-4-6-13(12)8-10-14;1-10(2)13-7-8-14-12-6-4-3-5-11(12)9-13;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-7(2)8-3-4-10-9(5-8)6-12-11(10)13;1-8(2)10-6-9-4-3-5-12-11(9)7-10;1-8(2)10-7-6-9-4-3-5-11(9)12-10;1-8(2)9-3-4-10-6-12-7-11(10)5-9;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;2*1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-6(2)9-11-7-3-4-10-5-8(7)12-9/h5-8,11H,9-10H2,1-4H3;3-6,11H,7-10H2,1-2H3;3-6,10H,7-9H2,1-2H3;3-9H,1-2H3;6-9H,3-5H2,1-2H3;3-7,9H,8H2,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13);3-6,8H,7H2,1-2H3;6-8H,3-5H2,1-2H3;3-5,8H,6-7H2,1-2H3;2*3-8H,1-2H3;3*3-7H,1-2H3;6,10H,3-5H2,1-2H3
InChIKeyNPGAXGQBPNMNQF-UHFFFAOYSA-N
MW2750.00 g/mol
LogP46.40
Rot. Bonds16

About 2,2-dimethyl-4-propan-2-yl-3,5-dihydro-1,4-benzoxazepine;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-7H-cyclopenta[b]pyridine;5-propan-2-yl-1,3-dihydro-2-benzofuran;4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydroisoindol-1-one;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-indene;2-propan-2-ylquinoline;3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-ylthieno[2,3-b]pyridine

2,2-dimethyl-4-propan-2-yl-3,5-dihydro-1,4-benzoxazepine;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-7H-cyclopenta[b]pyridine;5-propan-2-yl-1,3-dihydro-2-benzofuran;4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydroisoindol-1-one;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-indene;2-propan-2-ylquinoline;3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-ylthieno[2,3-b]pyridine (PubChem CID 159845535) has the molecular formula C180H226N12O8S2 and a molecular weight of 2750.00 g/mol. Its IUPAC name is 2,2-dimethyl-4-propan-2-yl-3,5-dihydro-1,4-benzoxazepine;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-7H-cyclopenta[b]pyridine;5-propan-2-yl-1,3-dihydro-2-benzofuran;4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydroisoindol-1-one;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-indene;2-propan-2-ylquinoline;3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-ylthieno[2,3-b]pyridine.

Molecular Properties

Compound Name2,2-dimethyl-4-propan-2-yl-3,5-dihydro-1,4-benzoxazepine;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-7H-cyclopenta[b]pyridine;5-propan-2-yl-1,3-dihydro-2-benzofuran;4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydroisoindol-1-one;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-indene;2-propan-2-ylquinoline;3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-ylthieno[2,3-b]pyridine
PubChem CID159845535
Molecular FormulaC180H226N12O8S2
Molecular Weight2750.00 g/mol
Exact Mass2747.71
IUPAC Name2,2-dimethyl-4-propan-2-yl-3,5-dihydro-1,4-benzoxazepine;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-7H-cyclopenta[b]pyridine;5-propan-2-yl-1,3-dihydro-2-benzofuran;4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydroisoindol-1-one;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-indene;2-propan-2-ylquinoline;3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-ylthieno[2,3-b]pyridine
SMILESCC(C)C1=Cc2ccccc2C1.CC(C)C1=Cc2cccnc2C1.CC(C)N1CCOc2ccccc2C1.CC(C)N1CCc2ccccc2CC1.CC(C)N1Cc2ccccc2OC(C)(C)C1.CC(C)c1cc2cccnc2o1.CC(C)c1cc2cccnc2s1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CNC2=O.CC(C)c1ccc2c(c1)COC2.CC(C)c1ccc2c(n1)CCC2.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2occc2c1.CC(C)c1nc2c(s1)CNCC2
InChIInChI=1S/C14H21NO.C13H19N.C12H17NO.C12H13N.C12H16.C12H14.C11H13NO.C11H13N.C11H15N.C11H14O.2C11H12O.2C10H11NO.C10H11NS.C9H14N2S/c1-11(2)15-9-12-7-5-6-8-13(12)16-14(3,4)10-15;1-11(2)14-9-7-12-5-3-4-6-13(12)8-10-14;1-10(2)13-7-8-14-12-6-4-3-5-11(12)9-13;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-7(2)8-3-4-10-9(5-8)6-12-11(10)13;1-8(2)10-6-9-4-3-5-12-11(9)7-10;1-8(2)10-7-6-9-4-3-5-11(9)12-10;1-8(2)9-3-4-10-6-12-7-11(10)5-9;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;2*1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-6(2)9-11-7-3-4-10-5-8(7)12-9/h5-8,11H,9-10H2,1-4H3;3-6,11H,7-10H2,1-2H3;3-6,10H,7-9H2,1-2H3;3-9H,1-2H3;6-9H,3-5H2,1-2H3;3-7,9H,8H2,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13);3-6,8H,7H2,1-2H3;6-8H,3-5H2,1-2H3;3-5,8H,6-7H2,1-2H3;2*3-8H,1-2H3;3*3-7H,1-2H3;6,10H,3-5H2,1-2H3
InChIKeyNPGAXGQBPNMNQF-UHFFFAOYSA-N
XLogP46.40
TPSA221.33 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms202
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002750.00
LogP ≤ 546.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Analyze 2,2-dimethyl-4-propan-2-yl-3,5-dihydro-1,4-benzoxazepine;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-7H-cyclopenta[b]pyridine;5-propan-2-yl-1,3-dihydro-2-benzofuran;4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydroisoindol-1-one;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-indene;2-propan-2-ylquinoline;3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-ylthieno[2,3-b]pyridine with MolForge

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Launch Full Analysis

Related Compounds

1-tert-butyl-4-propan-2-ylbenzene;5-tert-butyl-2-propan-2-yl-1-benzothiophene;5-tert-butyl-2-propan-2-yl-1,3-benzoxazole;2-tert-butyl-6-propan-2-ylchromen-4-one;2-tert-butyl-6-propan-2-yl-3,4-dihydro-2H-chromene;6-tert-butyl-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-tert-butyl-2-propan-2-ylquinoline;2-tert-butyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-tert-butyl-2-propan-2-ylthiophene;2,5-ditert-butylpyridine;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indole;2,5-di(propan-2-yl)pyridine;4,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline
CID 157074897
Hexalithium;7-[4-[4-(1,3-benzothiazol-2-yl)phenyl]-7-(8-oxidoquinolin-1-ium-7-yl)benzo[a]anthracen-12-yl]quinolin-1-ium-8-olate;5-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-12-(8-oxidoquinolin-1-ium-5-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;7-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-7-(8-oxidoquinolin-1-ium-7-yl)benzo[a]anthracen-12-yl]quinolin-1-ium-8-olate
CID 157207226
2,2-dimethyl-4-propan-2-yl-3,5-dihydro-1,4-benzoxazepine;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-7H-cyclopenta[b]pyridine;6-propan-2-yl-5H-cyclopenta[c]pyridine;5-propan-2-yl-1,3-dihydro-2-benzofuran;4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydroisoindol-1-one;2-propan-2-ylfuro[2,3-b]pyridine;3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine
CID 157222304
1-tert-butyl-4-propan-2-ylbenzene;5-tert-butyl-2-propan-2-yl-1-benzothiophene;5-tert-butyl-2-propan-2-yl-1,3-benzoxazole;2-tert-butyl-6-propan-2-yl-3,4-dihydro-2H-chromene;6-tert-butyl-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-tert-butyl-2-propan-2-ylquinoline;2-tert-butyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2,5-ditert-butylpyridine;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indole;2,5-di(propan-2-yl)pyridine;4,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;2,4-di(propan-2-yl)thiophene
CID 157570151
2,2-dimethyl-4-propan-2-yl-3,5-dihydro-1,4-benzoxazepine;2-methylpropylbenzene;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;4-propan-2-ylcyclohexa-2,4-dien-1-one;6-propan-2-yl-7H-cyclopenta[b]pyridine;5-propan-2-yl-1,3-dihydro-2-benzofuran;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydroisoindol-1-one;2-propan-2-ylfuro[2,3-b]pyridine;5-propan-2-yl-3H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;propan-2-yloxybenzene;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthieno[2,3-b]pyridine
CID 157660558
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;7-azaspiro[3.5]nonane;1,3-benzothiazole;1,3-benzoxazole;cyclobutane;cyclohexane;7H-cyclopenta[b]pyridine;cyclopentane;cyclopropane;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;furo[2,3-b]pyridine;quinoline;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,4-thiazinane 1,1-dioxide;thieno[2,3-b]pyridine
CID 158491738
4,6-Di(propan-2-yl)-1-benzofuran;bis(4,7-di(propan-2-yl)-1-benzofuran);5,7-di(propan-2-yl)-1-benzofuran;4,6-di(propan-2-yl)-1,3-benzothiazole;4,6-di(propan-2-yl)-1-benzothiophene;bis(4,7-di(propan-2-yl)-1-benzothiophene);4,6-di(propan-2-yl)-1,3-benzoxazole;4,7-di(propan-2-yl)-1,3-benzoxazole;6,8-di(propan-2-yl)quinoline;7,8-di(propan-2-yl)quinoline
CID 158641750
2,2-dimethyl-4-propan-2-yl-3,5-dihydro-1,4-benzoxazepine;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-7H-cyclopenta[b]pyridine;5-propan-2-yl-1,3-dihydro-2-benzofuran;4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydroisoindol-1-one;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-indene;2-propan-2-ylquinoline;3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine
CID 158811559
Tetralithium;5-[3-(1,3-benzothiazol-2-yl)anthracen-9-yl]quinolin-1-ium-8-olate;7-[3-(1,3-benzothiazol-2-yl)anthracen-9-yl]quinolin-1-ium-8-olate;5-[3-[4-(1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[3-(1,3-benzoxazol-2-yl)anthracen-9-yl]quinolin-1-ium-8-olate
CID 158833159
CID 158869071
CID 158869071
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;7-azaspiro[3.5]nonane;1,3-benzothiazole;1,3-benzoxazole;cyclobutane;cyclohexane;7H-cyclopenta[b]pyridine;cyclopentane;cyclopropane;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;furo[2,3-b]pyridine;3H-indole;quinoline;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,4-thiazinane 1,1-dioxide;thieno[2,3-b]pyridine
CID 158908699
CID 159383079
CID 159383079

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-propan-2-yl-3,5-dihydro-1,4-benzoxazepine;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-7H-cyclopenta[b]pyridine;5-propan-2-yl-1,3-dihydro-2-benzofuran;4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydroisoindol-1-one;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-indene;2-propan-2-ylquinoline;3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-ylthieno[2,3-b]pyridine?
The IUPAC name of 2,2-dimethyl-4-propan-2-yl-3,5-dihydro-1,4-benzoxazepine;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-7H-cyclopenta[b]pyridine;5-propan-2-yl-1,3-dihydro-2-benzofuran;4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydroisoindol-1-one;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-indene;2-propan-2-ylquinoline;3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-ylthieno[2,3-b]pyridine (CID 159845535) is 2,2-dimethyl-4-propan-2-yl-3,5-dihydro-1,4-benzoxazepine;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-7H-cyclopenta[b]pyridine;5-propan-2-yl-1,3-dihydro-2-benzofuran;4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydroisoindol-1-one;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-indene;2-propan-2-ylquinoline;3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-ylthieno[2,3-b]pyridine.
What is the SMILES notation for 2,2-dimethyl-4-propan-2-yl-3,5-dihydro-1,4-benzoxazepine;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-7H-cyclopenta[b]pyridine;5-propan-2-yl-1,3-dihydro-2-benzofuran;4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydroisoindol-1-one;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-indene;2-propan-2-ylquinoline;3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-ylthieno[2,3-b]pyridine?
The canonical SMILES for 2,2-dimethyl-4-propan-2-yl-3,5-dihydro-1,4-benzoxazepine;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-7H-cyclopenta[b]pyridine;5-propan-2-yl-1,3-dihydro-2-benzofuran;4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydroisoindol-1-one;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-indene;2-propan-2-ylquinoline;3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-ylthieno[2,3-b]pyridine is CC(C)C1=Cc2ccccc2C1.CC(C)C1=Cc2cccnc2C1.CC(C)N1CCOc2ccccc2C1.CC(C)N1CCc2ccccc2CC1.CC(C)N1Cc2ccccc2OC(C)(C)C1.CC(C)c1cc2cccnc2o1.CC(C)c1cc2cccnc2s1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CNC2=O.CC(C)c1ccc2c(c1)COC2.CC(C)c1ccc2c(n1)CCC2.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2occc2c1.CC(C)c1nc2c(s1)CNCC2.
What is the InChIKey of 2,2-dimethyl-4-propan-2-yl-3,5-dihydro-1,4-benzoxazepine;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-7H-cyclopenta[b]pyridine;5-propan-2-yl-1,3-dihydro-2-benzofuran;4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydroisoindol-1-one;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-indene;2-propan-2-ylquinoline;3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-ylthieno[2,3-b]pyridine?
The InChIKey is NPGAXGQBPNMNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.C13H19N.C12H17NO.C12H13N.C12H16.C12H14.C11H13NO.C11H13N.C11H15N.C11H14O.2C11H12O.2C10H11NO.C10H11NS.C9H14N2S/c1-11(2)15-9-12-7-5-6-8-13(12)16-14(3,4)10-15;1-11(2)14-9-7-12-5-3-4-6-13(12)8-10-14;1-10(2)13-7-8-14-12-6-4-3-5-11(12)9-13;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-7(2)8-3-4-10-9(5-8)6-12-11(10)13;1-8(2)10-6-9-4-3-5-12-11(9)7-10;1-8(2)10-7-6-9-4-3-5-11(9)12-10;1-8(2)9-3-4-10-6-12-7-11(10)5-9;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;2*1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-6(2)9-11-7-3-4-10-5-8(7)12-9/h5-8,11H,9-10H2,1-4H3;3-6,11H,7-10H2,1-2H3;3-6,10H,7-9H2,1-2H3;3-9H,1-2H3;6-9H,3-5H2,1-2H3;3-7,9H,8H2,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13);3-6,8H,7H2,1-2H3;6-8H,3-5H2,1-2H3;3-5,8H,6-7H2,1-2H3;2*3-8H,1-2H3;3*3-7H,1-2H3;6,10H,3-5H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-propan-2-yl-3,5-dihydro-1,4-benzoxazepine;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-7H-cyclopenta[b]pyridine;5-propan-2-yl-1,3-dihydro-2-benzofuran;4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydroisoindol-1-one;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-indene;2-propan-2-ylquinoline;3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-ylthieno[2,3-b]pyridine?
2,2-dimethyl-4-propan-2-yl-3,5-dihydro-1,4-benzoxazepine;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-7H-cyclopenta[b]pyridine;5-propan-2-yl-1,3-dihydro-2-benzofuran;4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydroisoindol-1-one;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-indene;2-propan-2-ylquinoline;3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-ylthieno[2,3-b]pyridine has a molecular weight of 2750.00 g/mol, XLogP of 46.40, 16 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-propan-2-yl-3,5-dihydro-1,4-benzoxazepine;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-7H-cyclopenta[b]pyridine;5-propan-2-yl-1,3-dihydro-2-benzofuran;4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydroisoindol-1-one;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-indene;2-propan-2-ylquinoline;3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-ylthieno[2,3-b]pyridine is sourced from PubChem (CID 159845535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).