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

C14H8ClFN2O3 — CID 4179895

IUPACN-(3-chloro-4-fluorophenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2ccco2)on1
InChIInChI=1S/C14H8ClFN2O3/c15-9-6-8(3-4-10(9)16)17-14(19)11-7-13(21-18-11)12-2-1-5-20-12/h1-7H,(H,17,19)
InChIKeyPSVCIZJICYHTIV-UHFFFAOYSA-N
MW306.68 g/mol
LogP3.98
Rot. Bonds3

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

N-(3-chloro-4-fluorophenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 4179895) has the molecular formula C14H8ClFN2O3 and a molecular weight of 306.68 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID4179895
Molecular FormulaC14H8ClFN2O3
Molecular Weight306.68 g/mol
Exact Mass306.02
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2ccco2)on1
InChIInChI=1S/C14H8ClFN2O3/c15-9-6-8(3-4-10(9)16)17-14(19)11-7-13(21-18-11)12-2-1-5-20-12/h1-7H,(H,17,19)
InChIKeyPSVCIZJICYHTIV-UHFFFAOYSA-N
XLogP3.98
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.68
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 4179895) is N-(3-chloro-4-fluorophenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2ccco2)on1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is PSVCIZJICYHTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2O3/c15-9-6-8(3-4-10(9)16)17-14(19)11-7-13(21-18-11)12-2-1-5-20-12/h1-7H,(H,17,19).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 306.68 g/mol, XLogP of 3.98, 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)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 4179895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).