N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide

C17H15ClN4O3 — CID 25159056

IUPACN-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(Cl)c(-c2ccc(NC(=O)c3conc3C)nc2N)c1
InChIInChI=1S/C17H15ClN4O3/c1-9-13(8-25-22-9)17(23)21-15-6-4-11(16(19)20-15)12-7-10(24-2)3-5-14(12)18/h3-8H,1-2H3,(H3,19,20,21,23)
InChIKeyRKNXQTWHCQJWPQ-UHFFFAOYSA-N
MW358.79 g/mol
LogP3.54
Rot. Bonds4

About N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide

N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 25159056) has the molecular formula C17H15ClN4O3 and a molecular weight of 358.79 g/mol. Its IUPAC name is N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID25159056
Molecular FormulaC17H15ClN4O3
Molecular Weight358.79 g/mol
Exact Mass358.08
IUPAC NameN-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(Cl)c(-c2ccc(NC(=O)c3conc3C)nc2N)c1
InChIInChI=1S/C17H15ClN4O3/c1-9-13(8-25-22-9)17(23)21-15-6-4-11(16(19)20-15)12-7-10(24-2)3-5-14(12)18/h3-8H,1-2H3,(H3,19,20,21,23)
InChIKeyRKNXQTWHCQJWPQ-UHFFFAOYSA-N
XLogP3.54
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-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-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide (CID 25159056) is N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide is COc1ccc(Cl)c(-c2ccc(NC(=O)c3conc3C)nc2N)c1.
What is the InChIKey of N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is RKNXQTWHCQJWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3/c1-9-13(8-25-22-9)17(23)21-15-6-4-11(16(19)20-15)12-7-10(24-2)3-5-14(12)18/h3-8H,1-2H3,(H3,19,20,21,23).
What are the key properties of N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide?
N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 358.79 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 25159056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).