N-(1,3-benzoxazol-5-yl)-2-phenylacetamide

C15H12N2O2 — CID 110728668

IUPACN-(1,3-benzoxazol-5-yl)-2-phenylacetamide
SMILESC1=CC=C(C=C1)CC(=O)NC2=CC3=C(C=C2)OC=N3
InChIInChI=1S/C15H12N2O2/c18-15(8-11-4-2-1-3-5-11)17-12-6-7-14-13(9-12)16-10-19-14/h1-7,9-10H,8H2,(H,17,18)
InChIKeyHPQFRTOWQBDFMV-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.50
Rot. Bonds3

About N-(1,3-benzoxazol-5-yl)-2-phenylacetamide

N-(1,3-benzoxazol-5-yl)-2-phenylacetamide (PubChem CID 110728668) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(1,3-benzoxazol-5-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-5-yl)-2-phenylacetamide
PubChem CID110728668
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC NameN-(1,3-benzoxazol-5-yl)-2-phenylacetamide
SMILESC1=CC=C(C=C1)CC(=O)NC2=CC3=C(C=C2)OC=N3
InChIInChI=1S/C15H12N2O2/c18-15(8-11-4-2-1-3-5-11)17-12-6-7-14-13(9-12)16-10-19-14/h1-7,9-10H,8H2,(H,17,18)
InChIKeyHPQFRTOWQBDFMV-UHFFFAOYSA-N
XLogP2.50
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity315

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-5-yl)-2-phenylacetamide?
The IUPAC name of N-(1,3-benzoxazol-5-yl)-2-phenylacetamide (CID 110728668) is N-(1,3-benzoxazol-5-yl)-2-phenylacetamide.
What is the SMILES notation for N-(1,3-benzoxazol-5-yl)-2-phenylacetamide?
The canonical SMILES for N-(1,3-benzoxazol-5-yl)-2-phenylacetamide is C1=CC=C(C=C1)CC(=O)NC2=CC3=C(C=C2)OC=N3.
What is the InChIKey of N-(1,3-benzoxazol-5-yl)-2-phenylacetamide?
The InChIKey is HPQFRTOWQBDFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-15(8-11-4-2-1-3-5-11)17-12-6-7-14-13(9-12)16-10-19-14/h1-7,9-10H,8H2,(H,17,18).
What are the key properties of N-(1,3-benzoxazol-5-yl)-2-phenylacetamide?
N-(1,3-benzoxazol-5-yl)-2-phenylacetamide has a molecular weight of 252.27 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-5-yl)-2-phenylacetamide is sourced from PubChem (CID 110728668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).