4-[(4,4-difluorocyclohexyl)methyl]-3-[(3,3-difluorocyclopentyl)methyl]-1,2,4-oxadiazol-5-one

C15H20F4N2O2 — CID 135371888

IUPAC4-[(4,4-difluorocyclohexyl)methyl]-3-[(3,3-difluorocyclopentyl)methyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(CC2CCC(F)(F)C2)n1CC1CCC(F)(F)CC1
InChIInChI=1S/C15H20F4N2O2/c16-14(17)4-1-10(2-5-14)9-21-12(20-23-13(21)22)7-11-3-6-15(18,19)8-11/h10-11H,1-9H2
InChIKeyPEXAPOJBJDPZJV-UHFFFAOYSA-N
MW336.33 g/mol
LogP3.64
Rot. Bonds4

About 4-[(4,4-difluorocyclohexyl)methyl]-3-[(3,3-difluorocyclopentyl)methyl]-1,2,4-oxadiazol-5-one

4-[(4,4-difluorocyclohexyl)methyl]-3-[(3,3-difluorocyclopentyl)methyl]-1,2,4-oxadiazol-5-one (PubChem CID 135371888) has the molecular formula C15H20F4N2O2 and a molecular weight of 336.33 g/mol. Its IUPAC name is 4-[(4,4-difluorocyclohexyl)methyl]-3-[(3,3-difluorocyclopentyl)methyl]-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-[(4,4-difluorocyclohexyl)methyl]-3-[(3,3-difluorocyclopentyl)methyl]-1,2,4-oxadiazol-5-one
PubChem CID135371888
Molecular FormulaC15H20F4N2O2
Molecular Weight336.33 g/mol
Exact Mass336.15
IUPAC Name4-[(4,4-difluorocyclohexyl)methyl]-3-[(3,3-difluorocyclopentyl)methyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(CC2CCC(F)(F)C2)n1CC1CCC(F)(F)CC1
InChIInChI=1S/C15H20F4N2O2/c16-14(17)4-1-10(2-5-14)9-21-12(20-23-13(21)22)7-11-3-6-15(18,19)8-11/h10-11H,1-9H2
InChIKeyPEXAPOJBJDPZJV-UHFFFAOYSA-N
XLogP3.64
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,4-difluorocyclohexyl)methyl]-3-[(3,3-difluorocyclopentyl)methyl]-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-[(4,4-difluorocyclohexyl)methyl]-3-[(3,3-difluorocyclopentyl)methyl]-1,2,4-oxadiazol-5-one (CID 135371888) is 4-[(4,4-difluorocyclohexyl)methyl]-3-[(3,3-difluorocyclopentyl)methyl]-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-[(4,4-difluorocyclohexyl)methyl]-3-[(3,3-difluorocyclopentyl)methyl]-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-[(4,4-difluorocyclohexyl)methyl]-3-[(3,3-difluorocyclopentyl)methyl]-1,2,4-oxadiazol-5-one is O=c1onc(CC2CCC(F)(F)C2)n1CC1CCC(F)(F)CC1.
What is the InChIKey of 4-[(4,4-difluorocyclohexyl)methyl]-3-[(3,3-difluorocyclopentyl)methyl]-1,2,4-oxadiazol-5-one?
The InChIKey is PEXAPOJBJDPZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4N2O2/c16-14(17)4-1-10(2-5-14)9-21-12(20-23-13(21)22)7-11-3-6-15(18,19)8-11/h10-11H,1-9H2.
What are the key properties of 4-[(4,4-difluorocyclohexyl)methyl]-3-[(3,3-difluorocyclopentyl)methyl]-1,2,4-oxadiazol-5-one?
4-[(4,4-difluorocyclohexyl)methyl]-3-[(3,3-difluorocyclopentyl)methyl]-1,2,4-oxadiazol-5-one has a molecular weight of 336.33 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,4-difluorocyclohexyl)methyl]-3-[(3,3-difluorocyclopentyl)methyl]-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 135371888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).