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

C12H10ClFN2O2 — CID 17253251

IUPACN-(3-chloro-4-fluorophenyl)-5-ethyl-1,2-oxazole-3-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(F)c(Cl)c2)no1
InChIInChI=1S/C12H10ClFN2O2/c1-2-8-6-11(16-18-8)12(17)15-7-3-4-10(14)9(13)5-7/h3-6H,2H2,1H3,(H,15,17)
InChIKeyRIQLPHNAJLDPJX-UHFFFAOYSA-N
MW268.68 g/mol
LogP3.28
Rot. Bonds3

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

N-(3-chloro-4-fluorophenyl)-5-ethyl-1,2-oxazole-3-carboxamide (PubChem CID 17253251) has the molecular formula C12H10ClFN2O2 and a molecular weight of 268.68 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-ethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-ethyl-1,2-oxazole-3-carboxamide
PubChem CID17253251
Molecular FormulaC12H10ClFN2O2
Molecular Weight268.68 g/mol
Exact Mass268.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-ethyl-1,2-oxazole-3-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(F)c(Cl)c2)no1
InChIInChI=1S/C12H10ClFN2O2/c1-2-8-6-11(16-18-8)12(17)15-7-3-4-10(14)9(13)5-7/h3-6H,2H2,1H3,(H,15,17)
InChIKeyRIQLPHNAJLDPJX-UHFFFAOYSA-N
XLogP3.28
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.68
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-ethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-ethyl-1,2-oxazole-3-carboxamide (CID 17253251) is N-(3-chloro-4-fluorophenyl)-5-ethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-ethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-ethyl-1,2-oxazole-3-carboxamide is CCc1cc(C(=O)Nc2ccc(F)c(Cl)c2)no1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-ethyl-1,2-oxazole-3-carboxamide?
The InChIKey is RIQLPHNAJLDPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O2/c1-2-8-6-11(16-18-8)12(17)15-7-3-4-10(14)9(13)5-7/h3-6H,2H2,1H3,(H,15,17).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-ethyl-1,2-oxazole-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-5-ethyl-1,2-oxazole-3-carboxamide has a molecular weight of 268.68 g/mol, XLogP of 3.28, 3 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-ethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17253251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).