N-(3-chloro-4-fluorophenyl)-5-propyl-1,2-oxazole-3-carboxamide

C13H12ClFN2O2 — CID 22427594

IUPACN-(3-chloro-4-fluorophenyl)-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc(F)c(Cl)c2)no1
InChIInChI=1S/C13H12ClFN2O2/c1-2-3-9-7-12(17-19-9)13(18)16-8-4-5-11(15)10(14)6-8/h4-7H,2-3H2,1H3,(H,16,18)
InChIKeyQKSUPEDMJUSVEK-UHFFFAOYSA-N
MW282.70 g/mol
LogP3.67
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-5-propyl-1,2-oxazole-3-carboxamide

N-(3-chloro-4-fluorophenyl)-5-propyl-1,2-oxazole-3-carboxamide (PubChem CID 22427594) has the molecular formula C13H12ClFN2O2 and a molecular weight of 282.70 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-propyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-propyl-1,2-oxazole-3-carboxamide
PubChem CID22427594
Molecular FormulaC13H12ClFN2O2
Molecular Weight282.70 g/mol
Exact Mass282.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc(F)c(Cl)c2)no1
InChIInChI=1S/C13H12ClFN2O2/c1-2-3-9-7-12(17-19-9)13(18)16-8-4-5-11(15)10(14)6-8/h4-7H,2-3H2,1H3,(H,16,18)
InChIKeyQKSUPEDMJUSVEK-UHFFFAOYSA-N
XLogP3.67
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.70
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-4-fluorophenyl)-5-propyl-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

Related Compounds

N-(3-chloro-4-fluorophenyl)-4-propyl-1,2,5-oxadiazole-3-carboxamide
CID 123163762
5-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 73051560
N-(3-chloro-4-fluorophenyl)-5-(2-ethyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carboxamide
CID 58349862
N-(3-chloro-4-fluorophenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195858
N-(3-chloro-4-fluorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 5016619
N-(3-chloro-4-fluorophenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 7959725
1-N-(3-chloro-4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050037
N-(3-chloro-4-fluorophenyl)-5-(dipropylamino)pyridine-2-carboxamide
CID 109196641
N-(3-chloro-4-fluorophenyl)-4-(2-methoxyethyl)-1,2,5-oxadiazole-3-carboxamide
CID 58941929
N-(3-chloro-4-fluorophenyl)-2H-triazole-4-carboxamide
CID 47338086
N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108955334
N-(3-chloro-4-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 86768677

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-propyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-propyl-1,2-oxazole-3-carboxamide (CID 22427594) is N-(3-chloro-4-fluorophenyl)-5-propyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-propyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-propyl-1,2-oxazole-3-carboxamide is CCCc1cc(C(=O)Nc2ccc(F)c(Cl)c2)no1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-propyl-1,2-oxazole-3-carboxamide?
The InChIKey is QKSUPEDMJUSVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2/c1-2-3-9-7-12(17-19-9)13(18)16-8-4-5-11(15)10(14)6-8/h4-7H,2-3H2,1H3,(H,16,18).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-propyl-1,2-oxazole-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-5-propyl-1,2-oxazole-3-carboxamide has a molecular weight of 282.70 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5-propyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 22427594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).