[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone

C14H16F3N5O2 — CID 56818692

IUPAC[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
SMILESCc1noc(C2CCN(C(=O)c3cn(C)nc3C(F)(F)F)CC2)n1
InChIInChI=1S/C14H16F3N5O2/c1-8-18-12(24-20-8)9-3-5-22(6-4-9)13(23)10-7-21(2)19-11(10)14(15,16)17/h7,9H,3-6H2,1-2H3
InChIKeyZEMRXNLWWGDTTO-UHFFFAOYSA-N
MW343.31 g/mol
LogP2.15
Rot. Bonds2

About [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone

[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone (PubChem CID 56818692) has the molecular formula C14H16F3N5O2 and a molecular weight of 343.31 g/mol. Its IUPAC name is [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
PubChem CID56818692
Molecular FormulaC14H16F3N5O2
Molecular Weight343.31 g/mol
Exact Mass343.13
IUPAC Name[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
SMILESCc1noc(C2CCN(C(=O)c3cn(C)nc3C(F)(F)F)CC2)n1
InChIInChI=1S/C14H16F3N5O2/c1-8-18-12(24-20-8)9-3-5-22(6-4-9)13(23)10-7-21(2)19-11(10)14(15,16)17/h7,9H,3-6H2,1-2H3
InChIKeyZEMRXNLWWGDTTO-UHFFFAOYSA-N
XLogP2.15
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-Methyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049795
(1,3-Dimethylpyrazol-4-yl)-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 72136060
[rel-(3R,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl](1-ethyl-5-methyl-1H-pyrazol-4-yl)methanone
CID 110203043
(1-ethyl-5-methyl-1H-pyrazol-4-yl)[rel-(3R,4R)-3-(methoxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 124050555
5-[5-(Difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
CID 75391272
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-5-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 124217652
(4-{2-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]ethyl}piperidin-1-yl)(1,3-dimethyl-1H-pyrazol-4-yl)methanone
CID 132340518
3-Methyl-5-(3-methyl-1-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole
CID 137956006
(5S)-5-[5-[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]piperidin-2-one
CID 164629882
1,5-dimethyl-N-[[(3R)-1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]methyl]pyrazole-4-carboxamide
CID 164633962
(1-ethyl-5-methyl-1H-pyrazol-4-yl)[3-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 164638839
Tert-butyl 4-[[5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate
CID 16034991

Frequently Asked Questions

What is the IUPAC name of [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone?
The IUPAC name of [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone (CID 56818692) is [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone.
What is the SMILES notation for [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone?
The canonical SMILES for [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone is Cc1noc(C2CCN(C(=O)c3cn(C)nc3C(F)(F)F)CC2)n1.
What is the InChIKey of [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone?
The InChIKey is ZEMRXNLWWGDTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O2/c1-8-18-12(24-20-8)9-3-5-22(6-4-9)13(23)10-7-21(2)19-11(10)14(15,16)17/h7,9H,3-6H2,1-2H3.
What are the key properties of [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone?
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone has a molecular weight of 343.31 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 56818692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).