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

C16H12F3N3O3 — CID 2744625

IUPAC3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1cc(-c2onc(C)c2C(=O)Nc2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C16H12F3N3O3/c1-8-7-12(22-24-8)14-13(9(2)21-25-14)15(23)20-11-5-3-10(4-6-11)16(17,18)19/h3-7H,1-2H3,(H,20,23)
InChIKeyNQUFLAXAPDKKJB-UHFFFAOYSA-N
MW351.28 g/mol
LogP4.22
Rot. Bonds3

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

3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 2744625) has the molecular formula C16H12F3N3O3 and a molecular weight of 351.28 g/mol. Its IUPAC name is 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID2744625
Molecular FormulaC16H12F3N3O3
Molecular Weight351.28 g/mol
Exact Mass351.08
IUPAC Name3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1cc(-c2onc(C)c2C(=O)Nc2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C16H12F3N3O3/c1-8-7-12(22-24-8)14-13(9(2)21-25-14)15(23)20-11-5-3-10(4-6-11)16(17,18)19/h3-7H,1-2H3,(H,20,23)
InChIKeyNQUFLAXAPDKKJB-UHFFFAOYSA-N
XLogP4.22
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (CID 2744625) is 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide is Cc1cc(-c2onc(C)c2C(=O)Nc2ccc(C(F)(F)F)cc2)no1.
What is the InChIKey of 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is NQUFLAXAPDKKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O3/c1-8-7-12(22-24-8)14-13(9(2)21-25-14)15(23)20-11-5-3-10(4-6-11)16(17,18)19/h3-7H,1-2H3,(H,20,23).
What are the key properties of 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 351.28 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2744625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).