3-(2-methylpropyl)-1,2-benzoxazole

C11H13NO — CID 20826787

IUPAC3-(2-methylpropyl)-1,2-benzoxazole
SMILESCC(C)Cc1noc2ccccc12
InChIInChI=1S/C11H13NO/c1-8(2)7-10-9-5-3-4-6-11(9)13-12-10/h3-6,8H,7H2,1-2H3
InChIKeyZXLPETAFTPZMBZ-UHFFFAOYSA-N
MW175.23 g/mol
LogP3.03
Rot. Bonds2

About 3-(2-methylpropyl)-1,2-benzoxazole

3-(2-methylpropyl)-1,2-benzoxazole (PubChem CID 20826787) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1,2-benzoxazole.

Molecular Properties

Compound Name3-(2-methylpropyl)-1,2-benzoxazole
PubChem CID20826787
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3-(2-methylpropyl)-1,2-benzoxazole
SMILESCC(C)Cc1noc2ccccc12
InChIInChI=1S/C11H13NO/c1-8(2)7-10-9-5-3-4-6-11(9)13-12-10/h3-6,8H,7H2,1-2H3
InChIKeyZXLPETAFTPZMBZ-UHFFFAOYSA-N
XLogP3.03
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2-methylpropyl)-1,2-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,2-benzoxazol-3-yl)-1-methoxyethanol
CID 152805743
3-(bromomethyl)-1,2-benzoxazole
CID 3499189
3-(methoxymethyl)-1,2-benzoxazole
CID 119083448
3-(2-imidazol-1-ylpropyl)-1,2-benzoxazole;hydrochloride
CID 70394939
3-(2,2-dimethylpropyl)-1,2-benzoxazole;methane
CID 162069739
2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155
3-[(4-methoxyphenyl)methyl]-1,2-benzoxazole
CID 91419468
3-(3-bromopropyl)-1,2-benzoxazole
CID 118498285
1-N-(1,2-benzoxazol-3-yl)-1-N-methylpropane-1,2-diamine
CID 83832884
3-[(5-chloro-1,3,4-oxadiazol-2-yl)methyl]-1,2-benzoxazole
CID 114771031
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40647246
2-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43572973

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-1,2-benzoxazole?
The IUPAC name of 3-(2-methylpropyl)-1,2-benzoxazole (CID 20826787) is 3-(2-methylpropyl)-1,2-benzoxazole.
What is the SMILES notation for 3-(2-methylpropyl)-1,2-benzoxazole?
The canonical SMILES for 3-(2-methylpropyl)-1,2-benzoxazole is CC(C)Cc1noc2ccccc12.
What is the InChIKey of 3-(2-methylpropyl)-1,2-benzoxazole?
The InChIKey is ZXLPETAFTPZMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8(2)7-10-9-5-3-4-6-11(9)13-12-10/h3-6,8H,7H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-1,2-benzoxazole?
3-(2-methylpropyl)-1,2-benzoxazole has a molecular weight of 175.23 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1,2-benzoxazole is sourced from PubChem (CID 20826787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).