N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]-3-methylpyridine-4-carboxamide

C20H14ClN3O2S — CID 11632636

IUPACN-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]-3-methylpyridine-4-carboxamide
SMILESCc1cnccc1C(=O)Nc1ccc(-c2cc(-c3ncco3)ccc2Cl)s1
InChIInChI=1S/C20H14ClN3O2S/c1-12-11-22-7-6-14(12)19(25)24-18-5-4-17(27-18)15-10-13(2-3-16(15)21)20-23-8-9-26-20/h2-11H,1H3,(H,24,25)
InChIKeyZVFJVCLFOLOFQU-UHFFFAOYSA-N
MW395.87 g/mol
LogP5.68
Rot. Bonds4

About N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]-3-methylpyridine-4-carboxamide

N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]-3-methylpyridine-4-carboxamide (PubChem CID 11632636) has the molecular formula C20H14ClN3O2S and a molecular weight of 395.87 g/mol. Its IUPAC name is N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]-3-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]-3-methylpyridine-4-carboxamide
PubChem CID11632636
Molecular FormulaC20H14ClN3O2S
Molecular Weight395.87 g/mol
Exact Mass395.05
IUPAC NameN-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]-3-methylpyridine-4-carboxamide
SMILESCc1cnccc1C(=O)Nc1ccc(-c2cc(-c3ncco3)ccc2Cl)s1
InChIInChI=1S/C20H14ClN3O2S/c1-12-11-22-7-6-14(12)19(25)24-18-5-4-17(27-18)15-10-13(2-3-16(15)21)20-23-8-9-26-20/h2-11H,1H3,(H,24,25)
InChIKeyZVFJVCLFOLOFQU-UHFFFAOYSA-N
XLogP5.68
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.87
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]-3-methylpyridine-4-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-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]-3-methylpyridine-4-carboxamide?
The IUPAC name of N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]-3-methylpyridine-4-carboxamide (CID 11632636) is N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]-3-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]-3-methylpyridine-4-carboxamide?
The canonical SMILES for N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]-3-methylpyridine-4-carboxamide is Cc1cnccc1C(=O)Nc1ccc(-c2cc(-c3ncco3)ccc2Cl)s1.
What is the InChIKey of N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]-3-methylpyridine-4-carboxamide?
The InChIKey is ZVFJVCLFOLOFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2S/c1-12-11-22-7-6-14(12)19(25)24-18-5-4-17(27-18)15-10-13(2-3-16(15)21)20-23-8-9-26-20/h2-11H,1H3,(H,24,25).
What are the key properties of N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]-3-methylpyridine-4-carboxamide?
N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]-3-methylpyridine-4-carboxamide has a molecular weight of 395.87 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]-3-methylpyridine-4-carboxamide is sourced from PubChem (CID 11632636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).