tert-butylbenzene;tris(2-tert-butyl-1,3-benzoxazole);2-tert-butyl-4H-imidazole;3-tert-butyl-1-methyl-1,2,4-triazole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(2-tert-butyl-1,3-oxazole);2-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;2-tert-butylpyrazine;3-tert-butyl-4H-pyrazole;tris(2-tert-butylpyridine);2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;4,5-dihydro-1,3-oxazole;tetrakis(2,2-dimethylpropane);furan;1,3-oxazole;thiophene

C197H299N31O10S2 — CID 159000657

IUPACtert-butylbenzene;tris(2-tert-butyl-1,3-benzoxazole);2-tert-butyl-4H-imidazole;3-tert-butyl-1-methyl-1,2,4-triazole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(2-tert-butyl-1,3-oxazole);2-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;2-tert-butylpyrazine;3-tert-butyl-4H-pyrazole;tris(2-tert-butylpyridine);2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;4,5-dihydro-1,3-oxazole;tetrakis(2,2-dimethylpropane);furan;1,3-oxazole;thiophene
SMILESC1=NCCO1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C1=NCC=N1.CC(C)(C)C1=NN=CC1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnccn1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2cccnc2o1.CC(C)(C)c1nc2ncccc2o1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.Cn1cnc(C(C)(C)C)n1.Cn1cnnc1C(C)(C)C.c1ccoc1.c1ccsc1.c1cocn1
InChIInChI=1S/3C11H13NO.2C10H12N2O.C10H14.3C9H13N.3C8H12N2.2C7H13N3.2C7H12N2.2C7H11NO.C7H11NS.4C5H12.C4H4O.C4H4S.C3H5NO.C3H3NO/c3*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)9-12-8-7(13-9)5-4-6-11-8;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-10(2,3)9-7-5-4-6-8-9;3*1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-7(2,3)6-9-8-5-10(6)4;1-7(2,3)6-8-5-10(4)9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6;3*1-7(2,3)6-8-4-5-9-6;4*1-5(2,3)4;2*1-2-4-5-3-1;2*1-2-5-3-4-1/h3*4-7H,1-3H3;2*4-6H,1-3H3;4-8H,1-3H3;3*4-7H,1-3H3;3*4-6H,1-3H3;2*5H,1-4H3;4H,5H2,1-3H3;5H,4H2,1-3H3;3*4-5H,1-3H3;4*1-4H3;2*1-4H;3H,1-2H2;1-3H
InChIKeyJRHLIRXBASIWHM-UHFFFAOYSA-N
MW3325.90 g/mol
LogP53.81
Rot. Bonds

About tert-butylbenzene;tris(2-tert-butyl-1,3-benzoxazole);2-tert-butyl-4H-imidazole;3-tert-butyl-1-methyl-1,2,4-triazole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(2-tert-butyl-1,3-oxazole);2-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;2-tert-butylpyrazine;3-tert-butyl-4H-pyrazole;tris(2-tert-butylpyridine);2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;4,5-dihydro-1,3-oxazole;tetrakis(2,2-dimethylpropane);furan;1,3-oxazole;thiophene

tert-butylbenzene;tris(2-tert-butyl-1,3-benzoxazole);2-tert-butyl-4H-imidazole;3-tert-butyl-1-methyl-1,2,4-triazole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(2-tert-butyl-1,3-oxazole);2-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;2-tert-butylpyrazine;3-tert-butyl-4H-pyrazole;tris(2-tert-butylpyridine);2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;4,5-dihydro-1,3-oxazole;tetrakis(2,2-dimethylpropane);furan;1,3-oxazole;thiophene (PubChem CID 159000657) has the molecular formula C197H299N31O10S2 and a molecular weight of 3325.90 g/mol. Its IUPAC name is tert-butylbenzene;tris(2-tert-butyl-1,3-benzoxazole);2-tert-butyl-4H-imidazole;3-tert-butyl-1-methyl-1,2,4-triazole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(2-tert-butyl-1,3-oxazole);2-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;2-tert-butylpyrazine;3-tert-butyl-4H-pyrazole;tris(2-tert-butylpyridine);2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;4,5-dihydro-1,3-oxazole;tetrakis(2,2-dimethylpropane);furan;1,3-oxazole;thiophene.

Molecular Properties

Compound Nametert-butylbenzene;tris(2-tert-butyl-1,3-benzoxazole);2-tert-butyl-4H-imidazole;3-tert-butyl-1-methyl-1,2,4-triazole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(2-tert-butyl-1,3-oxazole);2-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;2-tert-butylpyrazine;3-tert-butyl-4H-pyrazole;tris(2-tert-butylpyridine);2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;4,5-dihydro-1,3-oxazole;tetrakis(2,2-dimethylpropane);furan;1,3-oxazole;thiophene
PubChem CID159000657
Molecular FormulaC197H299N31O10S2
Molecular Weight3325.90 g/mol
Exact Mass3323.33
IUPAC Nametert-butylbenzene;tris(2-tert-butyl-1,3-benzoxazole);2-tert-butyl-4H-imidazole;3-tert-butyl-1-methyl-1,2,4-triazole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(2-tert-butyl-1,3-oxazole);2-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;2-tert-butylpyrazine;3-tert-butyl-4H-pyrazole;tris(2-tert-butylpyridine);2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;4,5-dihydro-1,3-oxazole;tetrakis(2,2-dimethylpropane);furan;1,3-oxazole;thiophene
SMILESC1=NCCO1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C1=NCC=N1.CC(C)(C)C1=NN=CC1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnccn1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2cccnc2o1.CC(C)(C)c1nc2ncccc2o1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.Cn1cnc(C(C)(C)C)n1.Cn1cnnc1C(C)(C)C.c1ccoc1.c1ccsc1.c1cocn1
InChIInChI=1S/3C11H13NO.2C10H12N2O.C10H14.3C9H13N.3C8H12N2.2C7H13N3.2C7H12N2.2C7H11NO.C7H11NS.4C5H12.C4H4O.C4H4S.C3H5NO.C3H3NO/c3*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)9-12-8-7(13-9)5-4-6-11-8;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-10(2,3)9-7-5-4-6-8-9;3*1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-7(2,3)6-9-8-5-10(6)4;1-7(2,3)6-8-5-10(4)9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6;3*1-7(2,3)6-8-4-5-9-6;4*1-5(2,3)4;2*1-2-4-5-3-1;2*1-2-5-3-4-1/h3*4-7H,1-3H3;2*4-6H,1-3H3;4-8H,1-3H3;3*4-7H,1-3H3;3*4-6H,1-3H3;2*5H,1-4H3;4H,5H2,1-3H3;5H,4H2,1-3H3;3*4-5H,1-3H3;4*1-4H3;2*1-4H;3H,1-2H2;1-3H
InChIKeyJRHLIRXBASIWHM-UHFFFAOYSA-N
XLogP53.81
TPSA508.51 Ų
H-Bond Donors
H-Bond Acceptors43
Rotatable Bonds
Heavy Atoms240
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003325.90
LogP ≤ 553.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1043

Analyze tert-butylbenzene;tris(2-tert-butyl-1,3-benzoxazole);2-tert-butyl-4H-imidazole;3-tert-butyl-1-methyl-1,2,4-triazole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(2-tert-butyl-1,3-oxazole);2-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;2-tert-butylpyrazine;3-tert-butyl-4H-pyrazole;tris(2-tert-butylpyridine);2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;4,5-dihydro-1,3-oxazole;tetrakis(2,2-dimethylpropane);furan;1,3-oxazole;thiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;tris(2-tert-butyl-1,3-benzoxazole);2-tert-butyl-4H-imidazole;3-tert-butyl-1-methyl-1,2,4-triazole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(2-tert-butyl-1,3-oxazole);2-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;2-tert-butylpyrazine;3-tert-butyl-4H-pyrazole;tris(2-tert-butylpyridine);2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;4,5-dihydro-1,3-oxazole;tetrakis(2,2-dimethylpropane);furan;1,3-oxazole;thiophene?
The IUPAC name of tert-butylbenzene;tris(2-tert-butyl-1,3-benzoxazole);2-tert-butyl-4H-imidazole;3-tert-butyl-1-methyl-1,2,4-triazole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(2-tert-butyl-1,3-oxazole);2-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;2-tert-butylpyrazine;3-tert-butyl-4H-pyrazole;tris(2-tert-butylpyridine);2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;4,5-dihydro-1,3-oxazole;tetrakis(2,2-dimethylpropane);furan;1,3-oxazole;thiophene (CID 159000657) is tert-butylbenzene;tris(2-tert-butyl-1,3-benzoxazole);2-tert-butyl-4H-imidazole;3-tert-butyl-1-methyl-1,2,4-triazole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(2-tert-butyl-1,3-oxazole);2-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;2-tert-butylpyrazine;3-tert-butyl-4H-pyrazole;tris(2-tert-butylpyridine);2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;4,5-dihydro-1,3-oxazole;tetrakis(2,2-dimethylpropane);furan;1,3-oxazole;thiophene.
What is the SMILES notation for tert-butylbenzene;tris(2-tert-butyl-1,3-benzoxazole);2-tert-butyl-4H-imidazole;3-tert-butyl-1-methyl-1,2,4-triazole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(2-tert-butyl-1,3-oxazole);2-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;2-tert-butylpyrazine;3-tert-butyl-4H-pyrazole;tris(2-tert-butylpyridine);2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;4,5-dihydro-1,3-oxazole;tetrakis(2,2-dimethylpropane);furan;1,3-oxazole;thiophene?
The canonical SMILES for tert-butylbenzene;tris(2-tert-butyl-1,3-benzoxazole);2-tert-butyl-4H-imidazole;3-tert-butyl-1-methyl-1,2,4-triazole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(2-tert-butyl-1,3-oxazole);2-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;2-tert-butylpyrazine;3-tert-butyl-4H-pyrazole;tris(2-tert-butylpyridine);2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;4,5-dihydro-1,3-oxazole;tetrakis(2,2-dimethylpropane);furan;1,3-oxazole;thiophene is C1=NCCO1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C1=NCC=N1.CC(C)(C)C1=NN=CC1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnccn1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2cccnc2o1.CC(C)(C)c1nc2ncccc2o1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.Cn1cnc(C(C)(C)C)n1.Cn1cnnc1C(C)(C)C.c1ccoc1.c1ccsc1.c1cocn1.
What is the InChIKey of tert-butylbenzene;tris(2-tert-butyl-1,3-benzoxazole);2-tert-butyl-4H-imidazole;3-tert-butyl-1-methyl-1,2,4-triazole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(2-tert-butyl-1,3-oxazole);2-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;2-tert-butylpyrazine;3-tert-butyl-4H-pyrazole;tris(2-tert-butylpyridine);2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;4,5-dihydro-1,3-oxazole;tetrakis(2,2-dimethylpropane);furan;1,3-oxazole;thiophene?
The InChIKey is JRHLIRXBASIWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H13NO.2C10H12N2O.C10H14.3C9H13N.3C8H12N2.2C7H13N3.2C7H12N2.2C7H11NO.C7H11NS.4C5H12.C4H4O.C4H4S.C3H5NO.C3H3NO/c3*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)9-12-8-7(13-9)5-4-6-11-8;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-10(2,3)9-7-5-4-6-8-9;3*1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-7(2,3)6-9-8-5-10(6)4;1-7(2,3)6-8-5-10(4)9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6;3*1-7(2,3)6-8-4-5-9-6;4*1-5(2,3)4;2*1-2-4-5-3-1;2*1-2-5-3-4-1/h3*4-7H,1-3H3;2*4-6H,1-3H3;4-8H,1-3H3;3*4-7H,1-3H3;3*4-6H,1-3H3;2*5H,1-4H3;4H,5H2,1-3H3;5H,4H2,1-3H3;3*4-5H,1-3H3;4*1-4H3;2*1-4H;3H,1-2H2;1-3H.
What are the key properties of tert-butylbenzene;tris(2-tert-butyl-1,3-benzoxazole);2-tert-butyl-4H-imidazole;3-tert-butyl-1-methyl-1,2,4-triazole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(2-tert-butyl-1,3-oxazole);2-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;2-tert-butylpyrazine;3-tert-butyl-4H-pyrazole;tris(2-tert-butylpyridine);2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;4,5-dihydro-1,3-oxazole;tetrakis(2,2-dimethylpropane);furan;1,3-oxazole;thiophene?
tert-butylbenzene;tris(2-tert-butyl-1,3-benzoxazole);2-tert-butyl-4H-imidazole;3-tert-butyl-1-methyl-1,2,4-triazole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(2-tert-butyl-1,3-oxazole);2-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;2-tert-butylpyrazine;3-tert-butyl-4H-pyrazole;tris(2-tert-butylpyridine);2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;4,5-dihydro-1,3-oxazole;tetrakis(2,2-dimethylpropane);furan;1,3-oxazole;thiophene has a molecular weight of 3325.90 g/mol, XLogP of 53.81, 0 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;tris(2-tert-butyl-1,3-benzoxazole);2-tert-butyl-4H-imidazole;3-tert-butyl-1-methyl-1,2,4-triazole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(2-tert-butyl-1,3-oxazole);2-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;2-tert-butylpyrazine;3-tert-butyl-4H-pyrazole;tris(2-tert-butylpyridine);2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;4,5-dihydro-1,3-oxazole;tetrakis(2,2-dimethylpropane);furan;1,3-oxazole;thiophene is sourced from PubChem (CID 159000657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).