4-(cyclohexylmethyl)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-one

C15H23F2N3O2 — CID 142465601

IUPAC4-(cyclohexylmethyl)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(CN2CCC(F)(F)CC2)n1CC1CCCCC1
InChIInChI=1S/C15H23F2N3O2/c16-15(17)6-8-19(9-7-15)11-13-18-22-14(21)20(13)10-12-4-2-1-3-5-12/h12H,1-11H2
InChIKeyBZUGHIPENHBKPM-UHFFFAOYSA-N
MW315.36 g/mol
LogP2.65
Rot. Bonds4

About 4-(cyclohexylmethyl)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-one

4-(cyclohexylmethyl)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-one (PubChem CID 142465601) has the molecular formula C15H23F2N3O2 and a molecular weight of 315.36 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-one
PubChem CID142465601
Molecular FormulaC15H23F2N3O2
Molecular Weight315.36 g/mol
Exact Mass315.18
IUPAC Name4-(cyclohexylmethyl)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(CN2CCC(F)(F)CC2)n1CC1CCCCC1
InChIInChI=1S/C15H23F2N3O2/c16-15(17)6-8-19(9-7-15)11-13-18-22-14(21)20(13)10-12-4-2-1-3-5-12/h12H,1-11H2
InChIKeyBZUGHIPENHBKPM-UHFFFAOYSA-N
XLogP2.65
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-(cyclohexylmethyl)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-one (CID 142465601) is 4-(cyclohexylmethyl)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-(cyclohexylmethyl)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-(cyclohexylmethyl)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-one is O=c1onc(CN2CCC(F)(F)CC2)n1CC1CCCCC1.
What is the InChIKey of 4-(cyclohexylmethyl)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-one?
The InChIKey is BZUGHIPENHBKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3O2/c16-15(17)6-8-19(9-7-15)11-13-18-22-14(21)20(13)10-12-4-2-1-3-5-12/h12H,1-11H2.
What are the key properties of 4-(cyclohexylmethyl)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-one?
4-(cyclohexylmethyl)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-one has a molecular weight of 315.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 142465601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).