[4-(3-methylpyrazol-1-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone

C14H15F3N4O2 — CID 138035233

IUPAC[4-(3-methylpyrazol-1-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone
SMILESCc1ccn(C2CCN(C(=O)c3conc3C(F)(F)F)CC2)n1
InChIInChI=1S/C14H15F3N4O2/c1-9-2-7-21(18-9)10-3-5-20(6-4-10)13(22)11-8-23-19-12(11)14(15,16)17/h2,7-8,10H,3-6H2,1H3
InChIKeyDHBVTZRUHPBTHW-UHFFFAOYSA-N
MW328.29 g/mol
LogP2.68
Rot. Bonds2

About [4-(3-methylpyrazol-1-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone

[4-(3-methylpyrazol-1-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone (PubChem CID 138035233) has the molecular formula C14H15F3N4O2 and a molecular weight of 328.29 g/mol. Its IUPAC name is [4-(3-methylpyrazol-1-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(3-methylpyrazol-1-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone
PubChem CID138035233
Molecular FormulaC14H15F3N4O2
Molecular Weight328.29 g/mol
Exact Mass328.11
IUPAC Name[4-(3-methylpyrazol-1-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone
SMILESCc1ccn(C2CCN(C(=O)c3conc3C(F)(F)F)CC2)n1
InChIInChI=1S/C14H15F3N4O2/c1-9-2-7-21(18-9)10-3-5-20(6-4-10)13(22)11-8-23-19-12(11)14(15,16)17/h2,7-8,10H,3-6H2,1H3
InChIKeyDHBVTZRUHPBTHW-UHFFFAOYSA-N
XLogP2.68
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(3-methylpyrazol-1-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone?
The IUPAC name of [4-(3-methylpyrazol-1-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone (CID 138035233) is [4-(3-methylpyrazol-1-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone.
What is the SMILES notation for [4-(3-methylpyrazol-1-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone?
The canonical SMILES for [4-(3-methylpyrazol-1-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone is Cc1ccn(C2CCN(C(=O)c3conc3C(F)(F)F)CC2)n1.
What is the InChIKey of [4-(3-methylpyrazol-1-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone?
The InChIKey is DHBVTZRUHPBTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2/c1-9-2-7-21(18-9)10-3-5-20(6-4-10)13(22)11-8-23-19-12(11)14(15,16)17/h2,7-8,10H,3-6H2,1H3.
What are the key properties of [4-(3-methylpyrazol-1-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone?
[4-(3-methylpyrazol-1-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone has a molecular weight of 328.29 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylpyrazol-1-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone is sourced from PubChem (CID 138035233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).