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

C15H22F2N2O2 — CID 135371189

IUPAC4-(cyclohexylmethyl)-3-[(3,3-difluorocyclopentyl)methyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(CC2CCC(F)(F)C2)n1CC1CCCCC1
InChIInChI=1S/C15H22F2N2O2/c16-15(17)7-6-12(9-15)8-13-18-21-14(20)19(13)10-11-4-2-1-3-5-11/h11-12H,1-10H2
InChIKeyHCVKFPFITMGGBZ-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.39
Rot. Bonds4

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

4-(cyclohexylmethyl)-3-[(3,3-difluorocyclopentyl)methyl]-1,2,4-oxadiazol-5-one (PubChem CID 135371189) has the molecular formula C15H22F2N2O2 and a molecular weight of 300.35 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-3-[(3,3-difluorocyclopentyl)methyl]-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-3-[(3,3-difluorocyclopentyl)methyl]-1,2,4-oxadiazol-5-one
PubChem CID135371189
Molecular FormulaC15H22F2N2O2
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name4-(cyclohexylmethyl)-3-[(3,3-difluorocyclopentyl)methyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(CC2CCC(F)(F)C2)n1CC1CCCCC1
InChIInChI=1S/C15H22F2N2O2/c16-15(17)7-6-12(9-15)8-13-18-21-14(20)19(13)10-11-4-2-1-3-5-11/h11-12H,1-10H2
InChIKeyHCVKFPFITMGGBZ-UHFFFAOYSA-N
XLogP3.39
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-3-[(3,3-difluorocyclopentyl)methyl]-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-(cyclohexylmethyl)-3-[(3,3-difluorocyclopentyl)methyl]-1,2,4-oxadiazol-5-one (CID 135371189) is 4-(cyclohexylmethyl)-3-[(3,3-difluorocyclopentyl)methyl]-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-(cyclohexylmethyl)-3-[(3,3-difluorocyclopentyl)methyl]-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-(cyclohexylmethyl)-3-[(3,3-difluorocyclopentyl)methyl]-1,2,4-oxadiazol-5-one is O=c1onc(CC2CCC(F)(F)C2)n1CC1CCCCC1.
What is the InChIKey of 4-(cyclohexylmethyl)-3-[(3,3-difluorocyclopentyl)methyl]-1,2,4-oxadiazol-5-one?
The InChIKey is HCVKFPFITMGGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2/c16-15(17)7-6-12(9-15)8-13-18-21-14(20)19(13)10-11-4-2-1-3-5-11/h11-12H,1-10H2.
What are the key properties of 4-(cyclohexylmethyl)-3-[(3,3-difluorocyclopentyl)methyl]-1,2,4-oxadiazol-5-one?
4-(cyclohexylmethyl)-3-[(3,3-difluorocyclopentyl)methyl]-1,2,4-oxadiazol-5-one has a molecular weight of 300.35 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-3-[(3,3-difluorocyclopentyl)methyl]-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 135371189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).