(4-cyclopropyl-1,3-oxazol-5-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone

C16H17F3N4O2 — CID 126815509

IUPAC(4-cyclopropyl-1,3-oxazol-5-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1ocnc1C1CC1)N1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C16H17F3N4O2/c17-16(18,19)12-5-8-23(21-12)11-3-6-22(7-4-11)15(24)14-13(10-1-2-10)20-9-25-14/h5,8-11H,1-4,6-7H2
InChIKeyXCBROVOYIJCPDK-UHFFFAOYSA-N
MW354.33 g/mol
LogP3.24
Rot. Bonds3

About (4-cyclopropyl-1,3-oxazol-5-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone

(4-cyclopropyl-1,3-oxazol-5-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone (PubChem CID 126815509) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is (4-cyclopropyl-1,3-oxazol-5-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-cyclopropyl-1,3-oxazol-5-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
PubChem CID126815509
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name(4-cyclopropyl-1,3-oxazol-5-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1ocnc1C1CC1)N1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C16H17F3N4O2/c17-16(18,19)12-5-8-23(21-12)11-3-6-22(7-4-11)15(24)14-13(10-1-2-10)20-9-25-14/h5,8-11H,1-4,6-7H2
InChIKeyXCBROVOYIJCPDK-UHFFFAOYSA-N
XLogP3.24
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(hydroxymethyl)-3-methylfuran-2-yl]-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 126797647
imidazo[1,2-a]pyrimidin-3-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 166277837
2-(methylamino)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 120705849
3-(furan-2-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
CID 136521345
1,3-benzothiazol-2-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 166203897
(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 166285321
2-[cyclopropyl(ethyl)amino]-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 86783988
(7-fluoro-2-methylquinolin-4-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 166203565
5-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122054778
[(1S,2R,5R)-3-azabicyclo[3.1.0]hexan-2-yl]-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 139021938
[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 75448752
2-(1-phenylpyrazol-4-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 166203581

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-1,3-oxazol-5-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-cyclopropyl-1,3-oxazol-5-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone (CID 126815509) is (4-cyclopropyl-1,3-oxazol-5-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-cyclopropyl-1,3-oxazol-5-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-cyclopropyl-1,3-oxazol-5-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone is O=C(c1ocnc1C1CC1)N1CCC(n2ccc(C(F)(F)F)n2)CC1.
What is the InChIKey of (4-cyclopropyl-1,3-oxazol-5-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is XCBROVOYIJCPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c17-16(18,19)12-5-8-23(21-12)11-3-6-22(7-4-11)15(24)14-13(10-1-2-10)20-9-25-14/h5,8-11H,1-4,6-7H2.
What are the key properties of (4-cyclopropyl-1,3-oxazol-5-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone?
(4-cyclopropyl-1,3-oxazol-5-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 354.33 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-1,3-oxazol-5-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 126815509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).