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

C14H16F3N5O3 — CID 90539952

IUPAC(3-methoxy-1-methylpyrazol-4-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESCOc1nn(C)cc1C(=O)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C14H16F3N5O3/c1-21-7-9(11(20-21)24-2)12(23)22-5-3-8(4-6-22)10-18-19-13(25-10)14(15,16)17/h7-8H,3-6H2,1-2H3
InChIKeyVDVVATDOKBKOLP-UHFFFAOYSA-N
MW359.31 g/mol
LogP1.85
Rot. Bonds3

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

(3-methoxy-1-methylpyrazol-4-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 90539952) has the molecular formula C14H16F3N5O3 and a molecular weight of 359.31 g/mol. Its IUPAC name is (3-methoxy-1-methylpyrazol-4-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxy-1-methylpyrazol-4-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
PubChem CID90539952
Molecular FormulaC14H16F3N5O3
Molecular Weight359.31 g/mol
Exact Mass359.12
IUPAC Name(3-methoxy-1-methylpyrazol-4-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESCOc1nn(C)cc1C(=O)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C14H16F3N5O3/c1-21-7-9(11(20-21)24-2)12(23)22-5-3-8(4-6-22)10-18-19-13(25-10)14(15,16)17/h7-8H,3-6H2,1-2H3
InChIKeyVDVVATDOKBKOLP-UHFFFAOYSA-N
XLogP1.85
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1-methylpyrazol-4-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-methoxy-1-methylpyrazol-4-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (CID 90539952) is (3-methoxy-1-methylpyrazol-4-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-methoxy-1-methylpyrazol-4-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-methoxy-1-methylpyrazol-4-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is COc1nn(C)cc1C(=O)N1CCC(c2nnc(C(F)(F)F)o2)CC1.
What is the InChIKey of (3-methoxy-1-methylpyrazol-4-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is VDVVATDOKBKOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O3/c1-21-7-9(11(20-21)24-2)12(23)22-5-3-8(4-6-22)10-18-19-13(25-10)14(15,16)17/h7-8H,3-6H2,1-2H3.
What are the key properties of (3-methoxy-1-methylpyrazol-4-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
(3-methoxy-1-methylpyrazol-4-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 359.31 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1-methylpyrazol-4-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 90539952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).