N-(3-chloro-4-fluorophenyl)-2-formyl-1,3-oxazole-4-carboxamide

C11H6ClFN2O3 — CID 170213760

IUPACN-(3-chloro-4-fluorophenyl)-2-formyl-1,3-oxazole-4-carboxamide
SMILESO=Cc1nc(C(=O)Nc2ccc(F)c(Cl)c2)co1
InChIInChI=1S/C11H6ClFN2O3/c12-7-3-6(1-2-8(7)13)14-11(17)9-5-18-10(4-16)15-9/h1-5H,(H,14,17)
InChIKeyCVGASULGXUTUSC-UHFFFAOYSA-N
MW268.63 g/mol
LogP2.53
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-2-formyl-1,3-oxazole-4-carboxamide

N-(3-chloro-4-fluorophenyl)-2-formyl-1,3-oxazole-4-carboxamide (PubChem CID 170213760) has the molecular formula C11H6ClFN2O3 and a molecular weight of 268.63 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-formyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-formyl-1,3-oxazole-4-carboxamide
PubChem CID170213760
Molecular FormulaC11H6ClFN2O3
Molecular Weight268.63 g/mol
Exact Mass268.01
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-formyl-1,3-oxazole-4-carboxamide
SMILESO=Cc1nc(C(=O)Nc2ccc(F)c(Cl)c2)co1
InChIInChI=1S/C11H6ClFN2O3/c12-7-3-6(1-2-8(7)13)14-11(17)9-5-18-10(4-16)15-9/h1-5H,(H,14,17)
InChIKeyCVGASULGXUTUSC-UHFFFAOYSA-N
XLogP2.53
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.63
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-(3-chloro-4-fluorophenyl)-2-formyl-1,3-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

Related Compounds

N-(3-chloro-4-fluorophenyl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515189
N-(3-chloro-4-fluorophenyl)-4-formyl-1,2,5-oxadiazole-3-carboxamide
CID 58941813
2-amino-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62788368
N-(3-chloro-4-fluorophenyl)-4-methylfuran-2-carboxamide
CID 110859335
N-(3-chloro-4-fluorophenyl)-2-[[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986478
N-(3-chloro-4-fluorophenyl)-2-[[4-[(2R)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986472
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
N-(3-chloro-4-fluorophenyl)-2-[[4-[(2R)-2-hydroxypentyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986474
N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43532923
N-(3-chloro-4-fluorophenyl)-2H-triazole-4-carboxamide
CID 47338086
N-(3-chloro-4-fluorophenyl)-5-methylfuran-2-carboxamide
CID 844340
5-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 73051560

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-formyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-formyl-1,3-oxazole-4-carboxamide (CID 170213760) is N-(3-chloro-4-fluorophenyl)-2-formyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-formyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-formyl-1,3-oxazole-4-carboxamide is O=Cc1nc(C(=O)Nc2ccc(F)c(Cl)c2)co1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-formyl-1,3-oxazole-4-carboxamide?
The InChIKey is CVGASULGXUTUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN2O3/c12-7-3-6(1-2-8(7)13)14-11(17)9-5-18-10(4-16)15-9/h1-5H,(H,14,17).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-formyl-1,3-oxazole-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-formyl-1,3-oxazole-4-carboxamide has a molecular weight of 268.63 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-formyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 170213760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).