N,N-dimethyl-5-[[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-amine

C14H19F3N6O — CID 124625051

IUPACN,N-dimethyl-5-[[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1
InChIInChI=1S/C14H19F3N6O/c1-21(2)13-18-12(24-20-13)9-22-6-3-4-10(8-22)23-7-5-11(19-23)14(15,16)17/h5,7,10H,3-4,6,8-9H2,1-2H3/t10-/m0/s1
InChIKeyKZVZOROMSRFIJR-JTQLQIEISA-N
MW344.34 g/mol
LogP2.19
Rot. Bonds4

About N,N-dimethyl-5-[[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-amine

N,N-dimethyl-5-[[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-amine (PubChem CID 124625051) has the molecular formula C14H19F3N6O and a molecular weight of 344.34 g/mol. Its IUPAC name is N,N-dimethyl-5-[[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-amine
PubChem CID124625051
Molecular FormulaC14H19F3N6O
Molecular Weight344.34 g/mol
Exact Mass344.16
IUPAC NameN,N-dimethyl-5-[[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1
InChIInChI=1S/C14H19F3N6O/c1-21(2)13-18-12(24-20-13)9-22-6-3-4-10(8-22)23-7-5-11(19-23)14(15,16)17/h5,7,10H,3-4,6,8-9H2,1-2H3/t10-/m0/s1
InChIKeyKZVZOROMSRFIJR-JTQLQIEISA-N
XLogP2.19
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-dimethyl-5-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 124616399
2-methyl-4-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 124616403
(3R)-1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine
CID 124721687
N-[2-[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]propan-2-amine
CID 99838934
4-[[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]pyridin-2-amine
CID 124626355
N-[2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]methanesulfonamide
CID 122138763
3-[[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]benzoic acid
CID 122032737
5-[[(4aR,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 124624996
5-[[(3R)-3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 124624885
5-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 124874749
3-cyclopropyl-5-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 128978588
3-(furan-2-yl)-5-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 134019527

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of N,N-dimethyl-5-[[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-amine (CID 124625051) is N,N-dimethyl-5-[[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N,N-dimethyl-5-[[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N,N-dimethyl-5-[[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-amine is CN(C)c1noc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1.
What is the InChIKey of N,N-dimethyl-5-[[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-amine?
The InChIKey is KZVZOROMSRFIJR-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19F3N6O/c1-21(2)13-18-12(24-20-13)9-22-6-3-4-10(8-22)23-7-5-11(19-23)14(15,16)17/h5,7,10H,3-4,6,8-9H2,1-2H3/t10-/m0/s1.
What are the key properties of N,N-dimethyl-5-[[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-amine?
N,N-dimethyl-5-[[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-amine has a molecular weight of 344.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 124625051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).