[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-(2,5-difluorophenyl)methanone

C19H23F2N3O2 — CID 71895131

IUPAC[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-(2,5-difluorophenyl)methanone
SMILESCC(C)(C)c1nc(CN2CCC(C(=O)c3cc(F)ccc3F)CC2)no1
InChIInChI=1S/C19H23F2N3O2/c1-19(2,3)18-22-16(23-26-18)11-24-8-6-12(7-9-24)17(25)14-10-13(20)4-5-15(14)21/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyRKDWYTJDCFWHAW-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.74
Rot. Bonds4

About [1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-(2,5-difluorophenyl)methanone

[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-(2,5-difluorophenyl)methanone (PubChem CID 71895131) has the molecular formula C19H23F2N3O2 and a molecular weight of 363.41 g/mol. Its IUPAC name is [1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-(2,5-difluorophenyl)methanone.

Molecular Properties

Compound Name[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-(2,5-difluorophenyl)methanone
PubChem CID71895131
Molecular FormulaC19H23F2N3O2
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-(2,5-difluorophenyl)methanone
SMILESCC(C)(C)c1nc(CN2CCC(C(=O)c3cc(F)ccc3F)CC2)no1
InChIInChI=1S/C19H23F2N3O2/c1-19(2,3)18-22-16(23-26-18)11-24-8-6-12(7-9-24)17(25)14-10-13(20)4-5-15(14)21/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyRKDWYTJDCFWHAW-UHFFFAOYSA-N
XLogP3.74
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-(2,5-difluorophenyl)methanone?
The IUPAC name of [1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-(2,5-difluorophenyl)methanone (CID 71895131) is [1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-(2,5-difluorophenyl)methanone.
What is the SMILES notation for [1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-(2,5-difluorophenyl)methanone?
The canonical SMILES for [1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-(2,5-difluorophenyl)methanone is CC(C)(C)c1nc(CN2CCC(C(=O)c3cc(F)ccc3F)CC2)no1.
What is the InChIKey of [1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-(2,5-difluorophenyl)methanone?
The InChIKey is RKDWYTJDCFWHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O2/c1-19(2,3)18-22-16(23-26-18)11-24-8-6-12(7-9-24)17(25)14-10-13(20)4-5-15(14)21/h4-5,10,12H,6-9,11H2,1-3H3.
What are the key properties of [1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-(2,5-difluorophenyl)methanone?
[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-(2,5-difluorophenyl)methanone has a molecular weight of 363.41 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-(2,5-difluorophenyl)methanone is sourced from PubChem (CID 71895131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).