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

C14H13F3N4O3 — CID 154789844

IUPAC2-(oxan-4-yl)-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cnc(C(F)(F)F)nc1)c1coc(C2CCOCC2)n1
InChIInChI=1S/C14H13F3N4O3/c15-14(16,17)13-18-5-9(6-19-13)20-11(22)10-7-24-12(21-10)8-1-3-23-4-2-8/h5-8H,1-4H2,(H,20,22)
InChIKeyOPOIHBAZGTXVDI-UHFFFAOYSA-N
MW342.28 g/mol
LogP2.63
Rot. Bonds3

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

2-(oxan-4-yl)-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-oxazole-4-carboxamide (PubChem CID 154789844) has the molecular formula C14H13F3N4O3 and a molecular weight of 342.28 g/mol. Its IUPAC name is 2-(oxan-4-yl)-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(oxan-4-yl)-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-oxazole-4-carboxamide
PubChem CID154789844
Molecular FormulaC14H13F3N4O3
Molecular Weight342.28 g/mol
Exact Mass342.09
IUPAC Name2-(oxan-4-yl)-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cnc(C(F)(F)F)nc1)c1coc(C2CCOCC2)n1
InChIInChI=1S/C14H13F3N4O3/c15-14(16,17)13-18-5-9(6-19-13)20-11(22)10-7-24-12(21-10)8-1-3-23-4-2-8/h5-8H,1-4H2,(H,20,22)
InChIKeyOPOIHBAZGTXVDI-UHFFFAOYSA-N
XLogP2.63
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(oxan-4-yl)-N-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide
CID 127905949
N-(4-bromo-1H-pyrazol-5-yl)-2-(oxan-4-yl)-1,3-oxazole-4-carboxamide
CID 128528087
N-(6-carbamoyl-3-pyridinyl)-2-cyclobutyl-1,3-oxazole-4-carboxamide
CID 126784346
2-cyclobutyl-N-[4-ethyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]-1,3-oxazole-4-carboxamide
CID 154744309
N-(3-bromophenyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 5176443
2-(oxolan-3-yl)-1,3-oxazole-4-carboxylic acid
CID 62234864
N-(4-methoxyphenyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3857041
2-cyclobutyl-N-[4-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]cyclohexyl]-1,3-oxazole-4-carboxamide
CID 167759305
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone
CID 127895119
N-[4-[(4-aminophenyl)methyl]phenyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3860536
2-[2-(oxan-4-yl)-1,3-oxazol-4-yl]acetic acid
CID 115027242
2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide
CID 166481504

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(oxan-4-yl)-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-oxazole-4-carboxamide (CID 154789844) is 2-(oxan-4-yl)-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(oxan-4-yl)-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(oxan-4-yl)-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-oxazole-4-carboxamide is O=C(Nc1cnc(C(F)(F)F)nc1)c1coc(C2CCOCC2)n1.
What is the InChIKey of 2-(oxan-4-yl)-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is OPOIHBAZGTXVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O3/c15-14(16,17)13-18-5-9(6-19-13)20-11(22)10-7-24-12(21-10)8-1-3-23-4-2-8/h5-8H,1-4H2,(H,20,22).
What are the key properties of 2-(oxan-4-yl)-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-oxazole-4-carboxamide?
2-(oxan-4-yl)-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 342.28 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 154789844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).