5-(3-chlorophenyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide

C16H10ClFN2O2 — CID 37341737

IUPAC5-(3-chlorophenyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cc(-c2cccc(Cl)c2)on1
InChIInChI=1S/C16H10ClFN2O2/c17-11-4-1-3-10(7-11)15-9-14(20-22-15)16(21)19-13-6-2-5-12(18)8-13/h1-9H,(H,19,21)
InChIKeyQOAVJKFSMJCDSI-UHFFFAOYSA-N
MW316.72 g/mol
LogP4.39
Rot. Bonds3

About 5-(3-chlorophenyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide

5-(3-chlorophenyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 37341737) has the molecular formula C16H10ClFN2O2 and a molecular weight of 316.72 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID37341737
Molecular FormulaC16H10ClFN2O2
Molecular Weight316.72 g/mol
Exact Mass316.04
IUPAC Name5-(3-chlorophenyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cc(-c2cccc(Cl)c2)on1
InChIInChI=1S/C16H10ClFN2O2/c17-11-4-1-3-10(7-11)15-9-14(20-22-15)16(21)19-13-6-2-5-12(18)8-13/h1-9H,(H,19,21)
InChIKeyQOAVJKFSMJCDSI-UHFFFAOYSA-N
XLogP4.39
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.72
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-5-(4-fluoro-3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 75204524
5-(3-chlorophenyl)-N-[3-(methylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide
CID 37340877
N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 55991496
N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 15997665
5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 15988828
5-(3-chlorophenyl)-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide
CID 78862555
N-[1-(3-acetamidophenyl)ethyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 46417652
5-(3-chlorophenyl)-N-[4-(cyclopropylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide
CID 55638985
N-(3-hydroxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093722
5-(4-chlorophenyl)-N-(3-nitrophenyl)-1,2-oxazole-3-carboxamide
CID 31776990
N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 17252987
N-[4-(3-amino-3-oxopropoxy)phenyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 55839867

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide (CID 37341737) is 5-(3-chlorophenyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide is O=C(Nc1cccc(F)c1)c1cc(-c2cccc(Cl)c2)on1.
What is the InChIKey of 5-(3-chlorophenyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is QOAVJKFSMJCDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN2O2/c17-11-4-1-3-10(7-11)15-9-14(20-22-15)16(21)19-13-6-2-5-12(18)8-13/h1-9H,(H,19,21).
What are the key properties of 5-(3-chlorophenyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide?
5-(3-chlorophenyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 316.72 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 37341737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).