3-(2-amino-2-cyclopentylethyl)-1,3-benzoxazol-2-one

C14H18N2O2 — CID 104747231

IUPAC3-(2-amino-2-cyclopentylethyl)-1,3-benzoxazol-2-one
SMILESNC(Cn1c(=O)oc2ccccc21)C1CCCC1
InChIInChI=1S/C14H18N2O2/c15-11(10-5-1-2-6-10)9-16-12-7-3-4-8-13(12)18-14(16)17/h3-4,7-8,10-11H,1-2,5-6,9,15H2
InChIKeyFWTYVEPTAQGREA-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.11
Rot. Bonds3

About 3-(2-amino-2-cyclopentylethyl)-1,3-benzoxazol-2-one

3-(2-amino-2-cyclopentylethyl)-1,3-benzoxazol-2-one (PubChem CID 104747231) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-(2-amino-2-cyclopentylethyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-(2-amino-2-cyclopentylethyl)-1,3-benzoxazol-2-one
PubChem CID104747231
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-(2-amino-2-cyclopentylethyl)-1,3-benzoxazol-2-one
SMILESNC(Cn1c(=O)oc2ccccc21)C1CCCC1
InChIInChI=1S/C14H18N2O2/c15-11(10-5-1-2-6-10)9-16-12-7-3-4-8-13(12)18-14(16)17/h3-4,7-8,10-11H,1-2,5-6,9,15H2
InChIKeyFWTYVEPTAQGREA-UHFFFAOYSA-N
XLogP2.11
TPSA61.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-amino-2-cyclopentylethyl)-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-[3-(cyclopentylamino)propyl]-1,3-benzoxazol-2-one
CID 55087544
N-(2-cyclohexyl-2-hydroxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 90498809
N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]cyclopropanecarboxamide
CID 95856797
3-[2-[3-(1-aminoethyl)pyrrolidin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 115969276
3-(2-amino-3-methoxy-3-methylbutyl)-1,3-benzoxazol-2-one
CID 114228581
(2-oxo-1,3-benzoxazol-3-yl)methanesulfonamide
CID 69238074
N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]cyclopentanecarbohydrazide
CID 75511657
1-(2-amino-2-cyclopentylethyl)pyridin-2-one
CID 104747056
3-(2,2,3,3-tetrabromopropyl)-1,3-benzoxazol-2-one
CID 619949
3-(5-bromopentyl)-1,3-benzoxazol-2-one
CID 24806895
N-(dicyclopropylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24620743
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 104957458

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-cyclopentylethyl)-1,3-benzoxazol-2-one?
The IUPAC name of 3-(2-amino-2-cyclopentylethyl)-1,3-benzoxazol-2-one (CID 104747231) is 3-(2-amino-2-cyclopentylethyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-(2-amino-2-cyclopentylethyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 3-(2-amino-2-cyclopentylethyl)-1,3-benzoxazol-2-one is NC(Cn1c(=O)oc2ccccc21)C1CCCC1.
What is the InChIKey of 3-(2-amino-2-cyclopentylethyl)-1,3-benzoxazol-2-one?
The InChIKey is FWTYVEPTAQGREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c15-11(10-5-1-2-6-10)9-16-12-7-3-4-8-13(12)18-14(16)17/h3-4,7-8,10-11H,1-2,5-6,9,15H2.
What are the key properties of 3-(2-amino-2-cyclopentylethyl)-1,3-benzoxazol-2-one?
3-(2-amino-2-cyclopentylethyl)-1,3-benzoxazol-2-one has a molecular weight of 246.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-cyclopentylethyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 104747231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).