3-[4-(2-methylpropyl)phenyl]-1,2-oxazole

C13H15NO — CID 26597218

IUPAC3-[4-(2-methylpropyl)phenyl]-1,2-oxazole
SMILESCC(C)Cc1ccc(-c2ccon2)cc1
InChIInChI=1S/C13H15NO/c1-10(2)9-11-3-5-12(6-4-11)13-7-8-15-14-13/h3-8,10H,9H2,1-2H3
InChIKeyVNUJMOKEHJLBKM-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.54
Rot. Bonds3

About 3-[4-(2-methylpropyl)phenyl]-1,2-oxazole

3-[4-(2-methylpropyl)phenyl]-1,2-oxazole (PubChem CID 26597218) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-[4-(2-methylpropyl)phenyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[4-(2-methylpropyl)phenyl]-1,2-oxazole
PubChem CID26597218
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name3-[4-(2-methylpropyl)phenyl]-1,2-oxazole
SMILESCC(C)Cc1ccc(-c2ccon2)cc1
InChIInChI=1S/C13H15NO/c1-10(2)9-11-3-5-12(6-4-11)13-7-8-15-14-13/h3-8,10H,9H2,1-2H3
InChIKeyVNUJMOKEHJLBKM-UHFFFAOYSA-N
XLogP3.54
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-3-[4-(2-methylpropyl)phenyl]-1,2-oxazole
CID 143746738
3-[4-(2-fluoroprop-2-enyl)phenyl]-1,2-oxazole
CID 91350985
2-(4-methylphenyl)-5-(2-methylpropyl)pyridine
CID 71106004
3-[4-[(2,6-dimethylphenoxy)methyl]phenyl]-1,2-oxazole
CID 90202651
N-ethyl-4-(1,2-oxazol-3-yl)aniline
CID 146602049
3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine
CID 140943602
(2S)-2-[(3,5-dimethylbenzoyl)-methylamino]-3-[4-(1,2-oxazol-3-yl)phenyl]propanoic acid
CID 18663505
[4-(2-methylpropyl)phenyl]methylphosphane
CID 69020974
3-[4-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]-1,2-oxazole
CID 90202469
N-methyl-1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]methanamine
CID 116897459
8-(2-methylpropyl)-1-[4-(2-methylpropyl)phenyl]naphtho[2,1-f]isoquinoline
CID 157202673
N-octan-3-yl-4-(1,2-oxazol-3-yl)aniline
CID 167054950

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpropyl)phenyl]-1,2-oxazole?
The IUPAC name of 3-[4-(2-methylpropyl)phenyl]-1,2-oxazole (CID 26597218) is 3-[4-(2-methylpropyl)phenyl]-1,2-oxazole.
What is the SMILES notation for 3-[4-(2-methylpropyl)phenyl]-1,2-oxazole?
The canonical SMILES for 3-[4-(2-methylpropyl)phenyl]-1,2-oxazole is CC(C)Cc1ccc(-c2ccon2)cc1.
What is the InChIKey of 3-[4-(2-methylpropyl)phenyl]-1,2-oxazole?
The InChIKey is VNUJMOKEHJLBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-10(2)9-11-3-5-12(6-4-11)13-7-8-15-14-13/h3-8,10H,9H2,1-2H3.
What are the key properties of 3-[4-(2-methylpropyl)phenyl]-1,2-oxazole?
3-[4-(2-methylpropyl)phenyl]-1,2-oxazole has a molecular weight of 201.27 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropyl)phenyl]-1,2-oxazole is sourced from PubChem (CID 26597218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).