2-tert-butylfuran;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;2-tert-butylthiophene

C71H113N9O3S2 — CID 159000905

IUPAC2-tert-butylfuran;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;2-tert-butylthiophene
SMILESCC(C)(C)c1cccnc1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccon1.CC(C)(C)n1cccn1.Cc1cnc(C(C)(C)C)o1.Cc1cnc(C(C)(C)C)s1.Cn1cccc1C(C)(C)C
InChIInChI=1S/C9H15N.C9H13N.C8H13NO.C8H13NS.C8H12O.C8H12S.2C7H12N2.C7H11NO/c1-9(2,3)8-6-5-7-10(8)4;1-9(2,3)8-5-4-6-10-7-8;2*1-6-5-9-7(10-6)8(2,3)4;2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-5-9-8-6/h5-7H,1-4H3;4-7H,1-3H3;2*5H,1-4H3;3*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3
InChIKeyJRIABZLTOJWYMX-UHFFFAOYSA-N
MW1204.88 g/mol
LogP20.67
Rot. Bonds

About 2-tert-butylfuran;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;2-tert-butylthiophene

2-tert-butylfuran;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;2-tert-butylthiophene (PubChem CID 159000905) has the molecular formula C71H113N9O3S2 and a molecular weight of 1204.88 g/mol. Its IUPAC name is 2-tert-butylfuran;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;2-tert-butylthiophene.

Molecular Properties

Compound Name2-tert-butylfuran;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;2-tert-butylthiophene
PubChem CID159000905
Molecular FormulaC71H113N9O3S2
Molecular Weight1204.88 g/mol
Exact Mass1203.84
IUPAC Name2-tert-butylfuran;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;2-tert-butylthiophene
SMILESCC(C)(C)c1cccnc1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccon1.CC(C)(C)n1cccn1.Cc1cnc(C(C)(C)C)o1.Cc1cnc(C(C)(C)C)s1.Cn1cccc1C(C)(C)C
InChIInChI=1S/C9H15N.C9H13N.C8H13NO.C8H13NS.C8H12O.C8H12S.2C7H12N2.C7H11NO/c1-9(2,3)8-6-5-7-10(8)4;1-9(2,3)8-5-4-6-10-7-8;2*1-6-5-9-7(10-6)8(2,3)4;2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-5-9-8-6/h5-7H,1-4H3;4-7H,1-3H3;2*5H,1-4H3;3*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3
InChIKeyJRIABZLTOJWYMX-UHFFFAOYSA-N
XLogP20.67
TPSA142.41 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001204.88
LogP ≤ 520.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 2-tert-butylfuran;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;2-tert-butylthiophene with MolForge

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Related Compounds

1-(1,1-difluoroethoxy)-2-methylpropane;1-(difluoromethoxy)-2-methylpropane;2,2-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;1,1-difluoro-2-methylpropane;bis(2,3-dimethylbutane);2,3-dimethylbutan-2-ol;(3S)-2,3-dimethylpentane;1,5-dimethyl-3-propan-2-ylpyrazole;(2S)-2-fluoro-3-methylbutane;(2R)-2-fluoro-3-methylbutane;2-fluoro-3-methylbutane;2-fluoro-4-methylpentane;(3R)-2-methylpentan-3-ol;2-methylpropan-1-ol;3-methyl-2-propan-2-ylfuran;2-methyl-4-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylthiophene
CID 157198640
1-(1,1-difluoroethoxy)-2-methylpropane;2,2-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutane);(3R)-2,3-dimethylpentane;(3S)-2,3-dimethylpentane;1,5-dimethyl-3-propan-2-ylpyrazole;1-(1-fluoroethoxy)-2-methylpropane;(2S)-2-fluoro-3-methylbutane;(2R)-2-fluoro-3-methylbutane;bis(2-fluoro-3-methylbutane);2-fluoro-4-methylpentane;methane;2-methylbutane;3-methyl-2-propan-2-ylfuran;2-methyl-4-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;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-thiazole;2,2,3-trimethylbutane
CID 159801962
1-(1,1-difluoroethoxy)-2-methylpropane;2,2-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutane);(3S)-2,3-dimethylpentane;(3R)-2,3-dimethylpentane;1,5-dimethyl-3-propan-2-ylpyrazole;1-(1-fluoroethoxy)-2-methylpropane;(2S)-2-fluoro-3-methylbutane;(2R)-2-fluoro-3-methylbutane;bis(2-fluoro-3-methylbutane);2-fluoro-4-methylpentane;2-methylbutane;2-methyl-4-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole;2,2,3-trimethylbutane
CID 161161372
3-tert-butyl-1,5-dimethylpyrazole;2-tert-butyl-3-methylfuran;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butylthiophene;2,2-difluoro-3,3-dimethylbutane;2,2-difluoro-4,4-dimethylpentane;1-(1,1-difluoroethoxy)-2,2-dimethylpropane;2,2-dimethylbutane;bis(3-fluoro-2,2-dimethylbutane);(3R)-3-fluoro-2,2-dimethylbutane;(3S)-3-fluoro-2,2-dimethylbutane;4-fluoro-2,2-dimethylpentane;1-(1-fluoroethoxy)-2,2-dimethylpropane;methane;2,2,3,3-tetramethylbutane;bis(2,2,3-trimethylbutane);(3R)-2,2,3-trimethylpentane;(3S)-2,2,3-trimethylpentane
CID 161251363
1-(1,1-difluoroethoxy)-2-methylpropane;2,2-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutane);(3R)-2,3-dimethylpentane;(3S)-2,3-dimethylpentane;1,5-dimethyl-3-propan-2-ylpyrazole;1-(1-fluoroethoxy)-2-methylpropane;(2S)-2-fluoro-3-methylbutane;(2R)-2-fluoro-3-methylbutane;bis(2-fluoro-3-methylbutane);2-fluoro-4-methylpentane;methane;2-methylbutane;3-methyl-2-propan-2-ylfuran;2-methyl-4-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole;2,2,3-trimethylbutane
CID 161743812
3-[4-(1,3-oxazol-2-yl)-1H-pyrazol-5-yl]-4-[4-(4-pyridin-2-yl-1,2-thiazol-3-yl)-1,3-thiazol-2-yl]-1,2-oxazole
CID 91378309
2-[6-(1,2-oxazol-3-yl)-2-(1H-pyrazol-5-yl)-3,5-bis(1H-pyrrol-2-yl)-5-(thiadiazol-4-yl)-4-(1,3-thiazol-2-yl)-6-(2H-triazol-4-yl)cyclohexa-1,3-dien-1-yl]-1,3-oxazole
CID 141026719
2-[2-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-2,5-bis(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)oxolan-3-yl]-1,3-oxazole
CID 141179432
2-[1-(4,5-dihydroimidazol-1-yl)-3-(furan-2-yl)-2-(1,2-oxazol-3-yl)-5-phenyl-1-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-2-pyridin-2-yl-1-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1-(2H-thiopyran-2-yl)-1,3-thiazolidin-4-yl]-1,3-oxazole
CID 141518820
2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyl-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole
CID 157077930
5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);5-tert-butyl-2-ethenyl-3H-pyrrole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole
CID 157096219
2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene
CID 157102632

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylfuran;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;2-tert-butylthiophene?
The IUPAC name of 2-tert-butylfuran;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;2-tert-butylthiophene (CID 159000905) is 2-tert-butylfuran;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;2-tert-butylthiophene.
What is the SMILES notation for 2-tert-butylfuran;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;2-tert-butylthiophene?
The canonical SMILES for 2-tert-butylfuran;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;2-tert-butylthiophene is CC(C)(C)c1cccnc1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccon1.CC(C)(C)n1cccn1.Cc1cnc(C(C)(C)C)o1.Cc1cnc(C(C)(C)C)s1.Cn1cccc1C(C)(C)C.
What is the InChIKey of 2-tert-butylfuran;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;2-tert-butylthiophene?
The InChIKey is JRIABZLTOJWYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N.C9H13N.C8H13NO.C8H13NS.C8H12O.C8H12S.2C7H12N2.C7H11NO/c1-9(2,3)8-6-5-7-10(8)4;1-9(2,3)8-5-4-6-10-7-8;2*1-6-5-9-7(10-6)8(2,3)4;2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-5-9-8-6/h5-7H,1-4H3;4-7H,1-3H3;2*5H,1-4H3;3*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3.
What are the key properties of 2-tert-butylfuran;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;2-tert-butylthiophene?
2-tert-butylfuran;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;2-tert-butylthiophene has a molecular weight of 1204.88 g/mol, XLogP of 20.67, 0 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylfuran;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;2-tert-butylthiophene is sourced from PubChem (CID 159000905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).