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

C16H9Cl2FN2O2 — CID 112807161

IUPACN-(4-chloro-2-fluorophenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C16H9Cl2FN2O2/c17-10-3-1-9(2-4-10)15-8-14(21-23-15)16(22)20-13-6-5-11(18)7-12(13)19/h1-8H,(H,20,22)
InChIKeyNEXDGFMLWCKEIR-UHFFFAOYSA-N
MW351.16 g/mol
LogP5.04
Rot. Bonds3

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

N-(4-chloro-2-fluorophenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 112807161) has the molecular formula C16H9Cl2FN2O2 and a molecular weight of 351.16 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID112807161
Molecular FormulaC16H9Cl2FN2O2
Molecular Weight351.16 g/mol
Exact Mass350.00
IUPAC NameN-(4-chloro-2-fluorophenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C16H9Cl2FN2O2/c17-10-3-1-9(2-4-10)15-8-14(21-23-15)16(22)20-13-6-5-11(18)7-12(13)19/h1-8H,(H,20,22)
InChIKeyNEXDGFMLWCKEIR-UHFFFAOYSA-N
XLogP5.04
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.16
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-methylphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 112807159
5-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-1,2-oxazole-3-carboxamide
CID 100777051
N-(5-chloro-2-fluorophenyl)-5-(4-fluoro-3-hydroxyphenyl)-1,2-oxazole-3-carboxamide;molecular hydrogen
CID 167670924
5-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 17252743
N-(5-chloro-2,4-dimethoxyphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 26052595
N-(2,5-dichlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 17252836
5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1133644
2-N,6-N-bis(4-chloro-2-fluorophenyl)pyridine-2,6-dicarboxamide
CID 3352552
5-(4-chlorophenyl)-N-[4-(4-chlorophenyl)sulfonylphenyl]-1,2-oxazole-3-carboxamide
CID 139582124
5-chloro-N-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625838
N-(5-chloro-2-pyridinyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 17022037
N-(3-chlorophenyl)-5-(4-fluoro-3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 75204524

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide (CID 112807161) is N-(4-chloro-2-fluorophenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide is O=C(Nc1ccc(Cl)cc1F)c1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is NEXDGFMLWCKEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2FN2O2/c17-10-3-1-9(2-4-10)15-8-14(21-23-15)16(22)20-13-6-5-11(18)7-12(13)19/h1-8H,(H,20,22).
What are the key properties of N-(4-chloro-2-fluorophenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide?
N-(4-chloro-2-fluorophenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 351.16 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 112807161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).