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

C18H12ClF3N2O2 — CID 42637759

IUPACN-[4-(2-chlorophenyl)-2-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(-c2ccccc2Cl)cc1C(F)(F)F
InChIInChI=1S/C18H12ClF3N2O2/c1-10-13(9-23-26-10)17(25)24-16-7-6-11(8-14(16)18(20,21)22)12-4-2-3-5-15(12)19/h2-9H,1H3,(H,24,25)
InChIKeyNGTFUCOXKSGGGU-UHFFFAOYSA-N
MW380.75 g/mol
LogP5.57
Rot. Bonds3

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

N-[4-(2-chlorophenyl)-2-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 42637759) has the molecular formula C18H12ClF3N2O2 and a molecular weight of 380.75 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-2-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-2-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID42637759
Molecular FormulaC18H12ClF3N2O2
Molecular Weight380.75 g/mol
Exact Mass380.05
IUPAC NameN-[4-(2-chlorophenyl)-2-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(-c2ccccc2Cl)cc1C(F)(F)F
InChIInChI=1S/C18H12ClF3N2O2/c1-10-13(9-23-26-10)17(25)24-16-7-6-11(8-14(16)18(20,21)22)12-4-2-3-5-15(12)19/h2-9H,1H3,(H,24,25)
InChIKeyNGTFUCOXKSGGGU-UHFFFAOYSA-N
XLogP5.57
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.75
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-2-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-(2-chlorophenyl)-2-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 42637759) is N-[4-(2-chlorophenyl)-2-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-2-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-2-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1ccc(-c2ccccc2Cl)cc1C(F)(F)F.
What is the InChIKey of N-[4-(2-chlorophenyl)-2-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is NGTFUCOXKSGGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N2O2/c1-10-13(9-23-26-10)17(25)24-16-7-6-11(8-14(16)18(20,21)22)12-4-2-3-5-15(12)19/h2-9H,1H3,(H,24,25).
What are the key properties of N-[4-(2-chlorophenyl)-2-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[4-(2-chlorophenyl)-2-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 380.75 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)-2-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 42637759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).