N-[6-amino-5-(2-chlorophenyl)-2-pyridinyl]-3-(methoxymethyl)-1,2-oxazole-5-carboxamide

C17H15ClN4O3 — CID 71111427

IUPACN-[6-amino-5-(2-chlorophenyl)-2-pyridinyl]-3-(methoxymethyl)-1,2-oxazole-5-carboxamide
SMILESCOCc1cc(C(=O)Nc2ccc(-c3ccccc3Cl)c(N)n2)on1
InChIInChI=1S/C17H15ClN4O3/c1-24-9-10-8-14(25-22-10)17(23)21-15-7-6-12(16(19)20-15)11-4-2-3-5-13(11)18/h2-8H,9H2,1H3,(H3,19,20,21,23)
InChIKeyCIPXUUPTVJYWMS-UHFFFAOYSA-N
MW358.79 g/mol
LogP3.37
Rot. Bonds5

About N-[6-amino-5-(2-chlorophenyl)-2-pyridinyl]-3-(methoxymethyl)-1,2-oxazole-5-carboxamide

N-[6-amino-5-(2-chlorophenyl)-2-pyridinyl]-3-(methoxymethyl)-1,2-oxazole-5-carboxamide (PubChem CID 71111427) has the molecular formula C17H15ClN4O3 and a molecular weight of 358.79 g/mol. Its IUPAC name is N-[6-amino-5-(2-chlorophenyl)-2-pyridinyl]-3-(methoxymethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-amino-5-(2-chlorophenyl)-2-pyridinyl]-3-(methoxymethyl)-1,2-oxazole-5-carboxamide
PubChem CID71111427
Molecular FormulaC17H15ClN4O3
Molecular Weight358.79 g/mol
Exact Mass358.08
IUPAC NameN-[6-amino-5-(2-chlorophenyl)-2-pyridinyl]-3-(methoxymethyl)-1,2-oxazole-5-carboxamide
SMILESCOCc1cc(C(=O)Nc2ccc(-c3ccccc3Cl)c(N)n2)on1
InChIInChI=1S/C17H15ClN4O3/c1-24-9-10-8-14(25-22-10)17(23)21-15-7-6-12(16(19)20-15)11-4-2-3-5-13(11)18/h2-8H,9H2,1H3,(H3,19,20,21,23)
InChIKeyCIPXUUPTVJYWMS-UHFFFAOYSA-N
XLogP3.37
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-amino-5-(2-chlorophenyl)-2-pyridinyl]-3-(methoxymethyl)-1,2-oxazole-5-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-chlorophenyl)-2-pyridinyl]-3-(methoxymethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[6-amino-5-(2-chlorophenyl)-2-pyridinyl]-3-(methoxymethyl)-1,2-oxazole-5-carboxamide (CID 71111427) is N-[6-amino-5-(2-chlorophenyl)-2-pyridinyl]-3-(methoxymethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[6-amino-5-(2-chlorophenyl)-2-pyridinyl]-3-(methoxymethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[6-amino-5-(2-chlorophenyl)-2-pyridinyl]-3-(methoxymethyl)-1,2-oxazole-5-carboxamide is COCc1cc(C(=O)Nc2ccc(-c3ccccc3Cl)c(N)n2)on1.
What is the InChIKey of N-[6-amino-5-(2-chlorophenyl)-2-pyridinyl]-3-(methoxymethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is CIPXUUPTVJYWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3/c1-24-9-10-8-14(25-22-10)17(23)21-15-7-6-12(16(19)20-15)11-4-2-3-5-13(11)18/h2-8H,9H2,1H3,(H3,19,20,21,23).
What are the key properties of N-[6-amino-5-(2-chlorophenyl)-2-pyridinyl]-3-(methoxymethyl)-1,2-oxazole-5-carboxamide?
N-[6-amino-5-(2-chlorophenyl)-2-pyridinyl]-3-(methoxymethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 358.79 g/mol, XLogP of 3.37, 5 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-chlorophenyl)-2-pyridinyl]-3-(methoxymethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 71111427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).