3,4-bis(cyclohexylmethyl)-1,2,4-oxadiazol-5-one

C16H26N2O2 — CID 135368956

IUPAC3,4-bis(cyclohexylmethyl)-1,2,4-oxadiazol-5-one
SMILESO=c1onc(CC2CCCCC2)n1CC1CCCCC1
InChIInChI=1S/C16H26N2O2/c19-16-18(12-14-9-5-2-6-10-14)15(17-20-16)11-13-7-3-1-4-8-13/h13-14H,1-12H2
InChIKeyYYBBNAHINKHOKA-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.54
Rot. Bonds4

About 3,4-bis(cyclohexylmethyl)-1,2,4-oxadiazol-5-one

3,4-bis(cyclohexylmethyl)-1,2,4-oxadiazol-5-one (PubChem CID 135368956) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3,4-bis(cyclohexylmethyl)-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3,4-bis(cyclohexylmethyl)-1,2,4-oxadiazol-5-one
PubChem CID135368956
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3,4-bis(cyclohexylmethyl)-1,2,4-oxadiazol-5-one
SMILESO=c1onc(CC2CCCCC2)n1CC1CCCCC1
InChIInChI=1S/C16H26N2O2/c19-16-18(12-14-9-5-2-6-10-14)15(17-20-16)11-13-7-3-1-4-8-13/h13-14H,1-12H2
InChIKeyYYBBNAHINKHOKA-UHFFFAOYSA-N
XLogP3.54
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Cyclohexylmethyl)-3-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one
CID 135368851
4-(Cyclohexylmethyl)-3-ethyl-1,2,4-oxadiazol-5-one
CID 142465624
4-(Cyclohexylmethyl)-3-methyl-1,2,4-oxadiazol-5-one
CID 142465645

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(cyclohexylmethyl)-1,2,4-oxadiazol-5-one?
The IUPAC name of 3,4-bis(cyclohexylmethyl)-1,2,4-oxadiazol-5-one (CID 135368956) is 3,4-bis(cyclohexylmethyl)-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3,4-bis(cyclohexylmethyl)-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3,4-bis(cyclohexylmethyl)-1,2,4-oxadiazol-5-one is O=c1onc(CC2CCCCC2)n1CC1CCCCC1.
What is the InChIKey of 3,4-bis(cyclohexylmethyl)-1,2,4-oxadiazol-5-one?
The InChIKey is YYBBNAHINKHOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c19-16-18(12-14-9-5-2-6-10-14)15(17-20-16)11-13-7-3-1-4-8-13/h13-14H,1-12H2.
What are the key properties of 3,4-bis(cyclohexylmethyl)-1,2,4-oxadiazol-5-one?
3,4-bis(cyclohexylmethyl)-1,2,4-oxadiazol-5-one has a molecular weight of 278.40 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(cyclohexylmethyl)-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 135368956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).