5-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,2-oxazole-3-carboxamide

C13H13F3N4O2 — CID 71796945

IUPAC5-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)c2cc(C)on2)n1
InChIInChI=1S/C13H13F3N4O2/c1-7-5-10(13(14,15)16)19-11(18-7)3-4-17-12(21)9-6-8(2)22-20-9/h5-6H,3-4H2,1-2H3,(H,17,21)
InChIKeyLHQJIVRHLTVXAQ-UHFFFAOYSA-N
MW314.27 g/mol
LogP2.07
Rot. Bonds4

About 5-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 71796945) has the molecular formula C13H13F3N4O2 and a molecular weight of 314.27 g/mol. Its IUPAC name is 5-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,2-oxazole-3-carboxamide
PubChem CID71796945
Molecular FormulaC13H13F3N4O2
Molecular Weight314.27 g/mol
Exact Mass314.10
IUPAC Name5-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)c2cc(C)on2)n1
InChIInChI=1S/C13H13F3N4O2/c1-7-5-10(13(14,15)16)19-11(18-7)3-4-17-12(21)9-6-8(2)22-20-9/h5-6H,3-4H2,1-2H3,(H,17,21)
InChIKeyLHQJIVRHLTVXAQ-UHFFFAOYSA-N
XLogP2.07
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,2-oxazole-3-carboxamide (CID 71796945) is 5-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(F)(F)F)nc(CCNC(=O)c2cc(C)on2)n1.
What is the InChIKey of 5-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is LHQJIVRHLTVXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O2/c1-7-5-10(13(14,15)16)19-11(18-7)3-4-17-12(21)9-6-8(2)22-20-9/h5-6H,3-4H2,1-2H3,(H,17,21).
What are the key properties of 5-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 314.27 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71796945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).