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

C18H11ClN2O2S — CID 2896778

IUPACN-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1cccs1
InChIInChI=1S/C18H11ClN2O2S/c19-12-6-7-15-14(10-12)21-18(23-15)11-3-1-4-13(9-11)20-17(22)16-5-2-8-24-16/h1-10H,(H,20,22)
InChIKeyIKCRPAOYAGVXNJ-UHFFFAOYSA-N
MW354.82 g/mol
LogP5.46
Rot. Bonds3

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

N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide (PubChem CID 2896778) has the molecular formula C18H11ClN2O2S and a molecular weight of 354.82 g/mol. Its IUPAC name is N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide
PubChem CID2896778
Molecular FormulaC18H11ClN2O2S
Molecular Weight354.82 g/mol
Exact Mass354.02
IUPAC NameN-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1cccs1
InChIInChI=1S/C18H11ClN2O2S/c19-12-6-7-15-14(10-12)21-18(23-15)11-3-1-4-13(9-11)20-17(22)16-5-2-8-24-16/h1-10H,(H,20,22)
InChIKeyIKCRPAOYAGVXNJ-UHFFFAOYSA-N
XLogP5.46
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.82
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiophene-2-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-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide (CID 2896778) is N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide is O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1cccs1.
What is the InChIKey of N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is IKCRPAOYAGVXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2O2S/c19-12-6-7-15-14(10-12)21-18(23-15)11-3-1-4-13(9-11)20-17(22)16-5-2-8-24-16/h1-10H,(H,20,22).
What are the key properties of N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide?
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 354.82 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 2896778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).