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

C16H17F3N2O2 — CID 53195212

IUPAC5-methyl-2-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
SMILESCc1oc(C(C)C)nc1C(=O)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C16H17F3N2O2/c1-9(2)15-21-13(10(3)23-15)14(22)20-8-11-6-4-5-7-12(11)16(17,18)19/h4-7,9H,8H2,1-3H3,(H,20,22)
InChIKeyDQLYBSYGECFKKA-UHFFFAOYSA-N
MW326.32 g/mol
LogP4.06
Rot. Bonds4

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

5-methyl-2-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 53195212) has the molecular formula C16H17F3N2O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID53195212
Molecular FormulaC16H17F3N2O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC Name5-methyl-2-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
SMILESCc1oc(C(C)C)nc1C(=O)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C16H17F3N2O2/c1-9(2)15-21-13(10(3)23-15)14(22)20-8-11-6-4-5-7-12(11)16(17,18)19/h4-7,9H,8H2,1-3H3,(H,20,22)
InChIKeyDQLYBSYGECFKKA-UHFFFAOYSA-N
XLogP4.06
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 54.06
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-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-2-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide (CID 53195212) is 5-methyl-2-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-2-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-2-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide is Cc1oc(C(C)C)nc1C(=O)NCc1ccccc1C(F)(F)F.
What is the InChIKey of 5-methyl-2-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is DQLYBSYGECFKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O2/c1-9(2)15-21-13(10(3)23-15)14(22)20-8-11-6-4-5-7-12(11)16(17,18)19/h4-7,9H,8H2,1-3H3,(H,20,22).
What are the key properties of 5-methyl-2-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
5-methyl-2-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 326.32 g/mol, XLogP of 4.06, 4 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-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53195212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).