2-(benzotriazol-2-yl)-N-(2-oxabicyclo[3.2.0]heptan-6-yl)acetamide

C14H16N4O2 — CID 156608498

IUPAC2-(benzotriazol-2-yl)-N-(2-oxabicyclo[3.2.0]heptan-6-yl)acetamide
SMILESO=C(Cn1nc2ccccc2n1)NC1CC2OCCC12
InChIInChI=1S/C14H16N4O2/c19-14(15-12-7-13-9(12)5-6-20-13)8-18-16-10-3-1-2-4-11(10)17-18/h1-4,9,12-13H,5-8H2,(H,15,19)
InChIKeyBXAAPNTVBRSSKA-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.72
Rot. Bonds3

About 2-(benzotriazol-2-yl)-N-(2-oxabicyclo[3.2.0]heptan-6-yl)acetamide

2-(benzotriazol-2-yl)-N-(2-oxabicyclo[3.2.0]heptan-6-yl)acetamide (PubChem CID 156608498) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-N-(2-oxabicyclo[3.2.0]heptan-6-yl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-N-(2-oxabicyclo[3.2.0]heptan-6-yl)acetamide
PubChem CID156608498
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-(benzotriazol-2-yl)-N-(2-oxabicyclo[3.2.0]heptan-6-yl)acetamide
SMILESO=C(Cn1nc2ccccc2n1)NC1CC2OCCC12
InChIInChI=1S/C14H16N4O2/c19-14(15-12-7-13-9(12)5-6-20-13)8-18-16-10-3-1-2-4-11(10)17-18/h1-4,9,12-13H,5-8H2,(H,15,19)
InChIKeyBXAAPNTVBRSSKA-UHFFFAOYSA-N
XLogP0.72
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(benzotriazol-2-yl)-N-(2-oxabicyclo[3.2.0]heptan-6-yl)acetamide 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

N-[(1S,5S,6R,7S)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(benzotriazol-2-yl)acetamide
CID 133267427
2-(4-methylpyrazol-1-yl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133264711
2-naphthalen-2-yl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133268711
2-naphthalen-2-yl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91792975
N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-2-(benzotriazol-2-yl)acetamide
CID 138382048
N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-5-phenylpentanamide
CID 133265817
2-(4-chlorophenyl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133268040
N-(2-oxabicyclo[3.2.0]heptan-6-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 156608301
N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-2-(benzotriazol-2-yl)acetamide
CID 90653846
2-(4-fluorophenoxy)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91791644
3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
CID 91761948
2-(3-chlorophenoxy)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91792621

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-N-(2-oxabicyclo[3.2.0]heptan-6-yl)acetamide?
The IUPAC name of 2-(benzotriazol-2-yl)-N-(2-oxabicyclo[3.2.0]heptan-6-yl)acetamide (CID 156608498) is 2-(benzotriazol-2-yl)-N-(2-oxabicyclo[3.2.0]heptan-6-yl)acetamide.
What is the SMILES notation for 2-(benzotriazol-2-yl)-N-(2-oxabicyclo[3.2.0]heptan-6-yl)acetamide?
The canonical SMILES for 2-(benzotriazol-2-yl)-N-(2-oxabicyclo[3.2.0]heptan-6-yl)acetamide is O=C(Cn1nc2ccccc2n1)NC1CC2OCCC12.
What is the InChIKey of 2-(benzotriazol-2-yl)-N-(2-oxabicyclo[3.2.0]heptan-6-yl)acetamide?
The InChIKey is BXAAPNTVBRSSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-14(15-12-7-13-9(12)5-6-20-13)8-18-16-10-3-1-2-4-11(10)17-18/h1-4,9,12-13H,5-8H2,(H,15,19).
What are the key properties of 2-(benzotriazol-2-yl)-N-(2-oxabicyclo[3.2.0]heptan-6-yl)acetamide?
2-(benzotriazol-2-yl)-N-(2-oxabicyclo[3.2.0]heptan-6-yl)acetamide has a molecular weight of 272.31 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-N-(2-oxabicyclo[3.2.0]heptan-6-yl)acetamide is sourced from PubChem (CID 156608498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).