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

C15H15F3N2O2 — CID 53195209

IUPAC5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCc1oc(C(C)C)nc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2O2/c1-8(2)14-20-12(9(3)22-14)13(21)19-11-6-4-10(5-7-11)15(16,17)18/h4-8H,1-3H3,(H,19,21)
InChIKeyIFYZBEPLMMXARX-UHFFFAOYSA-N
MW312.29 g/mol
LogP4.38
Rot. Bonds3

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

5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 53195209) has the molecular formula C15H15F3N2O2 and a molecular weight of 312.29 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID53195209
Molecular FormulaC15H15F3N2O2
Molecular Weight312.29 g/mol
Exact Mass312.11
IUPAC Name5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCc1oc(C(C)C)nc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2O2/c1-8(2)14-20-12(9(3)22-14)13(21)19-11-6-4-10(5-7-11)15(16,17)18/h4-8H,1-3H3,(H,19,21)
InChIKeyIFYZBEPLMMXARX-UHFFFAOYSA-N
XLogP4.38
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (CID 53195209) is 5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is Cc1oc(C(C)C)nc1C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is IFYZBEPLMMXARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2/c1-8(2)14-20-12(9(3)22-14)13(21)19-11-6-4-10(5-7-11)15(16,17)18/h4-8H,1-3H3,(H,19,21).
What are the key properties of 5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 312.29 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53195209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).