5-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide

C17H9Cl2F3N2O2 — CID 17252743

IUPAC5-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C17H9Cl2F3N2O2/c18-11-4-1-9(2-5-11)15-8-14(24-26-15)16(25)23-13-7-10(17(20,21)22)3-6-12(13)19/h1-8H,(H,23,25)
InChIKeyMOUUBPGJKUEDOF-UHFFFAOYSA-N
MW401.17 g/mol
LogP5.92
Rot. Bonds3

About 5-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide

5-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 17252743) has the molecular formula C17H9Cl2F3N2O2 and a molecular weight of 401.17 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID17252743
Molecular FormulaC17H9Cl2F3N2O2
Molecular Weight401.17 g/mol
Exact Mass400.00
IUPAC Name5-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C17H9Cl2F3N2O2/c18-11-4-1-9(2-5-11)15-8-14(24-26-15)16(25)23-13-7-10(17(20,21)22)3-6-12(13)19/h1-8H,(H,23,25)
InChIKeyMOUUBPGJKUEDOF-UHFFFAOYSA-N
XLogP5.92
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.17
LogP ≤ 55.92
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-(2,5-dichlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 17252836
5-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-1,2-oxazole-3-carboxamide
CID 100777051
N-(4-chlorophenyl)-N'-[2-chloro-5-(trifluoromethyl)phenyl]oxamide
CID 108987079
N-(2-chloro-4-methylphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 112807159
N-[5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 121030277
3-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole
CID 139215073
N-(5-chloro-2,4-dimethoxyphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 26052595
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 55757393
2-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 3128616
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110682635
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide
CID 17173190

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 17252743) is 5-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is MOUUBPGJKUEDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2F3N2O2/c18-11-4-1-9(2-5-11)15-8-14(24-26-15)16(25)23-13-7-10(17(20,21)22)3-6-12(13)19/h1-8H,(H,23,25).
What are the key properties of 5-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
5-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 401.17 g/mol, XLogP of 5.92, 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-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17252743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).