(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]methanone

C13H17F3N2O3 — CID 154759336

IUPAC(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCCc1nc(C)c(C(=O)N2CCCC(O)(C(F)(F)F)C2)o1
InChIInChI=1S/C13H17F3N2O3/c1-3-9-17-8(2)10(21-9)11(19)18-6-4-5-12(20,7-18)13(14,15)16/h20H,3-7H2,1-2H3
InChIKeySXNHWYNBFUWKJI-UHFFFAOYSA-N
MW306.28 g/mol
LogP2.07
Rot. Bonds2

About (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]methanone

(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 154759336) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID154759336
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC Name(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCCc1nc(C)c(C(=O)N2CCCC(O)(C(F)(F)F)C2)o1
InChIInChI=1S/C13H17F3N2O3/c1-3-9-17-8(2)10(21-9)11(19)18-6-4-5-12(20,7-18)13(14,15)16/h20H,3-7H2,1-2H3
InChIKeySXNHWYNBFUWKJI-UHFFFAOYSA-N
XLogP2.07
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]methanone (CID 154759336) is (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]methanone is CCc1nc(C)c(C(=O)N2CCCC(O)(C(F)(F)F)C2)o1.
What is the InChIKey of (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is SXNHWYNBFUWKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c1-3-9-17-8(2)10(21-9)11(19)18-6-4-5-12(20,7-18)13(14,15)16/h20H,3-7H2,1-2H3.
What are the key properties of (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]methanone?
(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 306.28 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 154759336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).