1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-nitro-2-oxopyridine-3-carboxamide

C16H11ClN4O5 — CID 35500675

IUPAC1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-nitro-2-oxopyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])cn(Cc2ncc(-c3cccc(Cl)c3)o2)c1=O
InChIInChI=1S/C16H11ClN4O5/c17-10-3-1-2-9(4-10)13-6-19-14(26-13)8-20-7-11(21(24)25)5-12(15(18)22)16(20)23/h1-7H,8H2,(H2,18,22)
InChIKeyACGWKDVLWUUMBC-UHFFFAOYSA-N
MW374.74 g/mol
LogP2.21
Rot. Bonds5

About 1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-nitro-2-oxopyridine-3-carboxamide

1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-nitro-2-oxopyridine-3-carboxamide (PubChem CID 35500675) has the molecular formula C16H11ClN4O5 and a molecular weight of 374.74 g/mol. Its IUPAC name is 1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-nitro-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-nitro-2-oxopyridine-3-carboxamide
PubChem CID35500675
Molecular FormulaC16H11ClN4O5
Molecular Weight374.74 g/mol
Exact Mass374.04
IUPAC Name1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-nitro-2-oxopyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])cn(Cc2ncc(-c3cccc(Cl)c3)o2)c1=O
InChIInChI=1S/C16H11ClN4O5/c17-10-3-1-2-9(4-10)13-6-19-14(26-13)8-20-7-11(21(24)25)5-12(15(18)22)16(20)23/h1-7H,8H2,(H2,18,22)
InChIKeyACGWKDVLWUUMBC-UHFFFAOYSA-N
XLogP2.21
TPSA134.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.74
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-nitro-2-oxopyridine-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 1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-nitro-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-nitro-2-oxopyridine-3-carboxamide (CID 35500675) is 1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-nitro-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-nitro-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-nitro-2-oxopyridine-3-carboxamide is NC(=O)c1cc([N+](=O)[O-])cn(Cc2ncc(-c3cccc(Cl)c3)o2)c1=O.
What is the InChIKey of 1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-nitro-2-oxopyridine-3-carboxamide?
The InChIKey is ACGWKDVLWUUMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O5/c17-10-3-1-2-9(4-10)13-6-19-14(26-13)8-20-7-11(21(24)25)5-12(15(18)22)16(20)23/h1-7H,8H2,(H2,18,22).
What are the key properties of 1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-nitro-2-oxopyridine-3-carboxamide?
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-nitro-2-oxopyridine-3-carboxamide has a molecular weight of 374.74 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-nitro-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 35500675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).