3-propan-2-yl-6,7-dihydro-1,3-benzoxazol-2-one

C10H13NO2 — CID 171515175

IUPAC3-propan-2-yl-6,7-dihydro-1,3-benzoxazol-2-one
SMILESCC(C)n1c2c(oc1=O)CCC=C2
InChIInChI=1S/C10H13NO2/c1-7(2)11-8-5-3-4-6-9(8)13-10(11)12/h3,5,7H,4,6H2,1-2H3
InChIKeyVEWKPEUBBKTXIX-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.98
Rot. Bonds1

About 3-propan-2-yl-6,7-dihydro-1,3-benzoxazol-2-one

3-propan-2-yl-6,7-dihydro-1,3-benzoxazol-2-one (PubChem CID 171515175) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-propan-2-yl-6,7-dihydro-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-propan-2-yl-6,7-dihydro-1,3-benzoxazol-2-one
PubChem CID171515175
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name3-propan-2-yl-6,7-dihydro-1,3-benzoxazol-2-one
SMILESCC(C)n1c2c(oc1=O)CCC=C2
InChIInChI=1S/C10H13NO2/c1-7(2)11-8-5-3-4-6-9(8)13-10(11)12/h3,5,7H,4,6H2,1-2H3
InChIKeyVEWKPEUBBKTXIX-UHFFFAOYSA-N
XLogP1.98
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-propan-2-yl-6,7-dihydro-1,3-benzoxazol-2-one 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

3-Propan-2-yl-4,5-dihydro-1,3-benzoxazol-2-one
CID 60067172
6-Ethenyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one
CID 146550515
Ethane;3-propan-2-yl-6,7-dihydro-1,3-benzoxazol-2-one
CID 171515174
3-Methyl-3a,4-dihydro-1,3-benzoxazol-2-one
CID 173056970
3-propyl-7,8-dihydro-6H-pyrido[1,2-c][1,3]oxazin-1-one
CID 102223817
cyclohexa-1,3-dien-1-yl N,N-di(propan-2-yl)carbamate
CID 132505945

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6,7-dihydro-1,3-benzoxazol-2-one?
The IUPAC name of 3-propan-2-yl-6,7-dihydro-1,3-benzoxazol-2-one (CID 171515175) is 3-propan-2-yl-6,7-dihydro-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-propan-2-yl-6,7-dihydro-1,3-benzoxazol-2-one?
The canonical SMILES for 3-propan-2-yl-6,7-dihydro-1,3-benzoxazol-2-one is CC(C)n1c2c(oc1=O)CCC=C2.
What is the InChIKey of 3-propan-2-yl-6,7-dihydro-1,3-benzoxazol-2-one?
The InChIKey is VEWKPEUBBKTXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7(2)11-8-5-3-4-6-9(8)13-10(11)12/h3,5,7H,4,6H2,1-2H3.
What are the key properties of 3-propan-2-yl-6,7-dihydro-1,3-benzoxazol-2-one?
3-propan-2-yl-6,7-dihydro-1,3-benzoxazol-2-one has a molecular weight of 179.22 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6,7-dihydro-1,3-benzoxazol-2-one is sourced from PubChem (CID 171515175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).