4-(4-chlorophenyl)-3-(1,3-oxazol-5-yl)-2-(trifluoromethyl)benzamide

C17H10ClF3N2O2 — CID 19388639

IUPAC4-(4-chlorophenyl)-3-(1,3-oxazol-5-yl)-2-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(-c2ccc(Cl)cc2)c(-c2cnco2)c1C(F)(F)F
InChIInChI=1S/C17H10ClF3N2O2/c18-10-3-1-9(2-4-10)11-5-6-12(16(22)24)15(17(19,20)21)14(11)13-7-23-8-25-13/h1-8H,(H2,22,24)
InChIKeyAIXNNKCCOJIGCU-UHFFFAOYSA-N
MW366.73 g/mol
LogP4.78
Rot. Bonds3

About 4-(4-chlorophenyl)-3-(1,3-oxazol-5-yl)-2-(trifluoromethyl)benzamide

4-(4-chlorophenyl)-3-(1,3-oxazol-5-yl)-2-(trifluoromethyl)benzamide (PubChem CID 19388639) has the molecular formula C17H10ClF3N2O2 and a molecular weight of 366.73 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-(1,3-oxazol-5-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-(1,3-oxazol-5-yl)-2-(trifluoromethyl)benzamide
PubChem CID19388639
Molecular FormulaC17H10ClF3N2O2
Molecular Weight366.73 g/mol
Exact Mass366.04
IUPAC Name4-(4-chlorophenyl)-3-(1,3-oxazol-5-yl)-2-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(-c2ccc(Cl)cc2)c(-c2cnco2)c1C(F)(F)F
InChIInChI=1S/C17H10ClF3N2O2/c18-10-3-1-9(2-4-10)11-5-6-12(16(22)24)15(17(19,20)21)14(11)13-7-23-8-25-13/h1-8H,(H2,22,24)
InChIKeyAIXNNKCCOJIGCU-UHFFFAOYSA-N
XLogP4.78
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.73
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-(1,3-oxazol-5-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-(4-chlorophenyl)-3-(1,3-oxazol-5-yl)-2-(trifluoromethyl)benzamide (CID 19388639) is 4-(4-chlorophenyl)-3-(1,3-oxazol-5-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-(4-chlorophenyl)-3-(1,3-oxazol-5-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-(4-chlorophenyl)-3-(1,3-oxazol-5-yl)-2-(trifluoromethyl)benzamide is NC(=O)c1ccc(-c2ccc(Cl)cc2)c(-c2cnco2)c1C(F)(F)F.
What is the InChIKey of 4-(4-chlorophenyl)-3-(1,3-oxazol-5-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is AIXNNKCCOJIGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N2O2/c18-10-3-1-9(2-4-10)11-5-6-12(16(22)24)15(17(19,20)21)14(11)13-7-23-8-25-13/h1-8H,(H2,22,24).
What are the key properties of 4-(4-chlorophenyl)-3-(1,3-oxazol-5-yl)-2-(trifluoromethyl)benzamide?
4-(4-chlorophenyl)-3-(1,3-oxazol-5-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 366.73 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-(1,3-oxazol-5-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 19388639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).