6-propan-2-yl-1,3-benzoxazole

C10H11NO — CID 21354846

IUPAC6-propan-2-yl-1,3-benzoxazole
SMILESCC(C)c1ccc2ncoc2c1
InChIInChI=1S/C10H11NO/c1-7(2)8-3-4-9-10(5-8)12-6-11-9/h3-7H,1-2H3
InChIKeyUZNGQOLSLIKEDO-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.95
Rot. Bonds1

About 6-propan-2-yl-1,3-benzoxazole

6-propan-2-yl-1,3-benzoxazole (PubChem CID 21354846) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 6-propan-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name6-propan-2-yl-1,3-benzoxazole
PubChem CID21354846
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name6-propan-2-yl-1,3-benzoxazole
SMILESCC(C)c1ccc2ncoc2c1
InChIInChI=1S/C10H11NO/c1-7(2)8-3-4-9-10(5-8)12-6-11-9/h3-7H,1-2H3
InChIKeyUZNGQOLSLIKEDO-UHFFFAOYSA-N
XLogP2.95
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-propan-2-yl-1,3-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-(1,3-benzoxazol-6-yl)propan-1-ol
CID 117277502
2-(1,3-benzoxazol-6-yl)propanenitrile
CID 21437237
1,3-benzoxazol-6-yl(methylamino)methanethiol
CID 116954549
1-(1,3-benzoxazol-6-yl)-1-chloro-N,N-dimethylmethanamine
CID 116915255
1-(1,3-benzoxazol-6-yl)-1-hydroxy-3-methylbutan-2-one
CID 116836015
1-amino-1-(1,3-benzoxazol-6-yl)propan-2-one
CID 116859715
1-(1,3-benzoxazol-6-yl)-2,2,2-trifluoro-N,N-dimethylethanamine
CID 116914373
1-(1,3-benzoxazol-6-yl)-2-sulfanylethanol
CID 116830039
2-amino-2-(1,3-benzoxazol-6-yl)ethanol
CID 82599704
1-(1,3-benzoxazol-6-yl)-3-methylsulfanylpropan-1-ol
CID 116831147
4-amino-4-(1,3-benzoxazol-6-yl)-3-methylbutanoic acid
CID 116938203
2-[1,3-benzoxazol-6-yl(methylamino)methyl]-3-methylbutan-1-ol
CID 116960168

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-1,3-benzoxazole?
The IUPAC name of 6-propan-2-yl-1,3-benzoxazole (CID 21354846) is 6-propan-2-yl-1,3-benzoxazole.
What is the SMILES notation for 6-propan-2-yl-1,3-benzoxazole?
The canonical SMILES for 6-propan-2-yl-1,3-benzoxazole is CC(C)c1ccc2ncoc2c1.
What is the InChIKey of 6-propan-2-yl-1,3-benzoxazole?
The InChIKey is UZNGQOLSLIKEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-7(2)8-3-4-9-10(5-8)12-6-11-9/h3-7H,1-2H3.
What are the key properties of 6-propan-2-yl-1,3-benzoxazole?
6-propan-2-yl-1,3-benzoxazole has a molecular weight of 161.20 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-1,3-benzoxazole is sourced from PubChem (CID 21354846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).