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

C18H13F3N2O2 — CID 807878

IUPAC5-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H13F3N2O2/c1-11-15(16(23-25-11)12-6-3-2-4-7-12)17(24)22-14-9-5-8-13(10-14)18(19,20)21/h2-10H,1H3,(H,22,24)
InChIKeyRPHFOMPBPMGQLS-UHFFFAOYSA-N
MW346.31 g/mol
LogP4.92
Rot. Bonds3

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

5-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 807878) has the molecular formula C18H13F3N2O2 and a molecular weight of 346.31 g/mol. Its IUPAC name is 5-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID807878
Molecular FormulaC18H13F3N2O2
Molecular Weight346.31 g/mol
Exact Mass346.09
IUPAC Name5-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H13F3N2O2/c1-11-15(16(23-25-11)12-6-3-2-4-7-12)17(24)22-14-9-5-8-13(10-14)18(19,20)21/h2-10H,1H3,(H,22,24)
InChIKeyRPHFOMPBPMGQLS-UHFFFAOYSA-N
XLogP4.92
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (CID 807878) is 5-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is RPHFOMPBPMGQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2/c1-11-15(16(23-25-11)12-6-3-2-4-7-12)17(24)22-14-9-5-8-13(10-14)18(19,20)21/h2-10H,1H3,(H,22,24).
What are the key properties of 5-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
5-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 346.31 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 807878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).