N-(2-chloro-3-pyridinyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide

C17H14ClN3O4 — CID 15988778

IUPACN-(2-chloro-3-pyridinyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cccnc3Cl)no2)cc1OC
InChIInChI=1S/C17H14ClN3O4/c1-23-13-6-5-10(8-15(13)24-2)14-9-12(21-25-14)17(22)20-11-4-3-7-19-16(11)18/h3-9H,1-2H3,(H,20,22)
InChIKeyJHUARAHIVKZCEZ-UHFFFAOYSA-N
MW359.77 g/mol
LogP3.66
Rot. Bonds5

About N-(2-chloro-3-pyridinyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide

N-(2-chloro-3-pyridinyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 15988778) has the molecular formula C17H14ClN3O4 and a molecular weight of 359.77 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID15988778
Molecular FormulaC17H14ClN3O4
Molecular Weight359.77 g/mol
Exact Mass359.07
IUPAC NameN-(2-chloro-3-pyridinyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cccnc3Cl)no2)cc1OC
InChIInChI=1S/C17H14ClN3O4/c1-23-13-6-5-10(8-15(13)24-2)14-9-12(21-25-14)17(22)20-11-4-3-7-19-16(11)18/h3-9H,1-2H3,(H,20,22)
InChIKeyJHUARAHIVKZCEZ-UHFFFAOYSA-N
XLogP3.66
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-chloro-3-pyridinyl)-5-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide (CID 15988778) is N-(2-chloro-3-pyridinyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)Nc3cccnc3Cl)no2)cc1OC.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is JHUARAHIVKZCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O4/c1-23-13-6-5-10(8-15(13)24-2)14-9-12(21-25-14)17(22)20-11-4-3-7-19-16(11)18/h3-9H,1-2H3,(H,20,22).
What are the key properties of N-(2-chloro-3-pyridinyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide?
N-(2-chloro-3-pyridinyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 359.77 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 15988778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).