N-(1,3-benzoxazol-2-ylmethyl)-2-cyclopent-2-en-1-ylacetamide

C15H16N2O2 — CID 91761912

IUPACN-(1,3-benzoxazol-2-ylmethyl)-2-cyclopent-2-en-1-ylacetamide
SMILESO=C(CC1C=CCC1)NCc1nc2ccccc2o1
InChIInChI=1S/C15H16N2O2/c18-14(9-11-5-1-2-6-11)16-10-15-17-12-7-3-4-8-13(12)19-15/h1,3-5,7-8,11H,2,6,9-10H2,(H,16,18)
InChIKeyKFPIINCGFQOUGN-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.80
Rot. Bonds4

About N-(1,3-benzoxazol-2-ylmethyl)-2-cyclopent-2-en-1-ylacetamide

N-(1,3-benzoxazol-2-ylmethyl)-2-cyclopent-2-en-1-ylacetamide (PubChem CID 91761912) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-(1,3-benzoxazol-2-ylmethyl)-2-cyclopent-2-en-1-ylacetamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-2-ylmethyl)-2-cyclopent-2-en-1-ylacetamide
PubChem CID91761912
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-(1,3-benzoxazol-2-ylmethyl)-2-cyclopent-2-en-1-ylacetamide
SMILESO=C(CC1C=CCC1)NCc1nc2ccccc2o1
InChIInChI=1S/C15H16N2O2/c18-14(9-11-5-1-2-6-11)16-10-15-17-12-7-3-4-8-13(12)19-15/h1,3-5,7-8,11H,2,6,9-10H2,(H,16,18)
InChIKeyKFPIINCGFQOUGN-UHFFFAOYSA-N
XLogP2.80
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-[(1R)-cyclopent-2-en-1-yl]acetohydrazide
CID 9326033
N-(1,3-benzoxazol-2-ylmethyl)-3,3-dimethylbutanamide
CID 110711685
N-(1,3-benzoxazol-2-ylmethyl)cyclohexanecarboxamide
CID 110711622
1-(1,3-benzoxazol-2-ylmethyl)-3-cyclohexylurea
CID 110747198
2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 39236349
N-(1,3-benzoxazol-2-ylmethyl)-2-(1H-indol-3-yl)acetamide
CID 110741802
N-(1,3-benzoxazol-2-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 91792073
2-cyclopent-2-en-1-yl-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106385742
N-[1-(1-benzofuran-2-yl)ethyl]-2-cyclopent-2-en-1-ylacetamide
CID 51206826
N-(1,3-benzoxazol-2-ylmethyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 110741805
2-[(1R)-cyclopent-2-en-1-yl]-N-[(4-pyridin-3-ylphenyl)methyl]acetamide
CID 97078512
3-[(2-cyclopent-2-en-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)propanamide
CID 51106744

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-2-cyclopent-2-en-1-ylacetamide?
The IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-2-cyclopent-2-en-1-ylacetamide (CID 91761912) is N-(1,3-benzoxazol-2-ylmethyl)-2-cyclopent-2-en-1-ylacetamide.
What is the SMILES notation for N-(1,3-benzoxazol-2-ylmethyl)-2-cyclopent-2-en-1-ylacetamide?
The canonical SMILES for N-(1,3-benzoxazol-2-ylmethyl)-2-cyclopent-2-en-1-ylacetamide is O=C(CC1C=CCC1)NCc1nc2ccccc2o1.
What is the InChIKey of N-(1,3-benzoxazol-2-ylmethyl)-2-cyclopent-2-en-1-ylacetamide?
The InChIKey is KFPIINCGFQOUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-14(9-11-5-1-2-6-11)16-10-15-17-12-7-3-4-8-13(12)19-15/h1,3-5,7-8,11H,2,6,9-10H2,(H,16,18).
What are the key properties of N-(1,3-benzoxazol-2-ylmethyl)-2-cyclopent-2-en-1-ylacetamide?
N-(1,3-benzoxazol-2-ylmethyl)-2-cyclopent-2-en-1-ylacetamide has a molecular weight of 256.31 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-2-ylmethyl)-2-cyclopent-2-en-1-ylacetamide is sourced from PubChem (CID 91761912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).