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

C16H9Cl3N2O2 — CID 100777051

IUPAC5-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C16H9Cl3N2O2/c17-10-6-4-9(5-7-10)14-8-13(21-23-14)16(22)20-12-3-1-2-11(18)15(12)19/h1-8H,(H,20,22)
InChIKeyNLAMEZGLZXIQFT-UHFFFAOYSA-N
MW367.62 g/mol
LogP5.55
Rot. Bonds3

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

5-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 100777051) has the molecular formula C16H9Cl3N2O2 and a molecular weight of 367.62 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID100777051
Molecular FormulaC16H9Cl3N2O2
Molecular Weight367.62 g/mol
Exact Mass365.97
IUPAC Name5-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C16H9Cl3N2O2/c17-10-6-4-9(5-7-10)14-8-13(21-23-14)16(22)20-12-3-1-2-11(18)15(12)19/h1-8H,(H,20,22)
InChIKeyNLAMEZGLZXIQFT-UHFFFAOYSA-N
XLogP5.55
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.62
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-fluorophenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 112807161
N-(2-chloro-4-methylphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 112807159
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
2-chloro-N-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]benzamide
CID 20546757
5-(4-chlorophenyl)-N-[4-(4-chlorophenyl)sulfonylphenyl]-1,2-oxazole-3-carboxamide
CID 139582124
N-(2,5-dichlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 17252836
N-(2-amino-2-methylpropyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 119629061
5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1133644
N-(2,3-dimethylphenyl)-5-(4-fluoro-3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 46265526
5-(4-chlorophenyl)-N-(3-nitrophenyl)-1,2-oxazole-3-carboxamide
CID 31776990
N-(2,1,3-benzothiadiazol-4-yl)-5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 51064558

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-1,2-oxazole-3-carboxamide (CID 100777051) is 5-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-1,2-oxazole-3-carboxamide is O=C(Nc1cccc(Cl)c1Cl)c1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is NLAMEZGLZXIQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl3N2O2/c17-10-6-4-9(5-7-10)14-8-13(21-23-14)16(22)20-12-3-1-2-11(18)15(12)19/h1-8H,(H,20,22).
What are the key properties of 5-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-1,2-oxazole-3-carboxamide?
5-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 367.62 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 100777051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).