N-[3-(1,3-benzoxazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide

C17H11N3O3 — CID 18587263

IUPACN-[3-(1,3-benzoxazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccno1
InChIInChI=1S/C17H11N3O3/c21-16(15-8-9-18-23-15)19-12-5-3-4-11(10-12)17-20-13-6-1-2-7-14(13)22-17/h1-10H,(H,19,21)
InChIKeyNOQLLMPYIPLINN-UHFFFAOYSA-N
MW305.29 g/mol
LogP3.74
Rot. Bonds3

About N-[3-(1,3-benzoxazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide

N-[3-(1,3-benzoxazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 18587263) has the molecular formula C17H11N3O3 and a molecular weight of 305.29 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-benzoxazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide
PubChem CID18587263
Molecular FormulaC17H11N3O3
Molecular Weight305.29 g/mol
Exact Mass305.08
IUPAC NameN-[3-(1,3-benzoxazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccno1
InChIInChI=1S/C17H11N3O3/c21-16(15-8-9-18-23-15)19-12-5-3-4-11(10-12)17-20-13-6-1-2-7-14(13)22-17/h1-10H,(H,19,21)
InChIKeyNOQLLMPYIPLINN-UHFFFAOYSA-N
XLogP3.74
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(1,3-benzoxazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide (CID 18587263) is N-[3-(1,3-benzoxazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-(1,3-benzoxazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-(1,3-benzoxazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide is O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccno1.
What is the InChIKey of N-[3-(1,3-benzoxazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is NOQLLMPYIPLINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O3/c21-16(15-8-9-18-23-15)19-12-5-3-4-11(10-12)17-20-13-6-1-2-7-14(13)22-17/h1-10H,(H,19,21).
What are the key properties of N-[3-(1,3-benzoxazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide?
N-[3-(1,3-benzoxazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 305.29 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzoxazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 18587263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).