N-(2-chloro-3-pyridinyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide

C16H12ClN3O3 — CID 17252896

IUPACN-(2-chloro-3-pyridinyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)Nc2cccnc2Cl)no1
InChIInChI=1S/C16H12ClN3O3/c1-22-13-7-3-2-5-10(13)14-9-12(20-23-14)16(21)19-11-6-4-8-18-15(11)17/h2-9H,1H3,(H,19,21)
InChIKeyTVNPLVPYYPVFDQ-UHFFFAOYSA-N
MW329.74 g/mol
LogP3.65
Rot. Bonds4

About N-(2-chloro-3-pyridinyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide

N-(2-chloro-3-pyridinyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 17252896) has the molecular formula C16H12ClN3O3 and a molecular weight of 329.74 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID17252896
Molecular FormulaC16H12ClN3O3
Molecular Weight329.74 g/mol
Exact Mass329.06
IUPAC NameN-(2-chloro-3-pyridinyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)Nc2cccnc2Cl)no1
InChIInChI=1S/C16H12ClN3O3/c1-22-13-7-3-2-5-10(13)14-9-12(20-23-14)16(21)19-11-6-4-8-18-15(11)17/h2-9H,1H3,(H,19,21)
InChIKeyTVNPLVPYYPVFDQ-UHFFFAOYSA-N
XLogP3.65
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(2-chloro-3-pyridinyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-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-(2-chloro-3-pyridinyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 17252896) is N-(2-chloro-3-pyridinyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1ccccc1-c1cc(C(=O)Nc2cccnc2Cl)no1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is TVNPLVPYYPVFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3/c1-22-13-7-3-2-5-10(13)14-9-12(20-23-14)16(21)19-11-6-4-8-18-15(11)17/h2-9H,1H3,(H,19,21).
What are the key properties of N-(2-chloro-3-pyridinyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-(2-chloro-3-pyridinyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 329.74 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17252896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).