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

C16H19FN2O2 — CID 135368968

IUPAC3-(cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(CC2CCCCC2)n1Cc1ccc(F)cc1
InChIInChI=1S/C16H19FN2O2/c17-14-8-6-13(7-9-14)11-19-15(18-21-16(19)20)10-12-4-2-1-3-5-12/h6-9,12H,1-5,10-11H2
InChIKeyCYLANHPFYWTWOM-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.15
Rot. Bonds4

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

3-(cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one (PubChem CID 135368968) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
PubChem CID135368968
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name3-(cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(CC2CCCCC2)n1Cc1ccc(F)cc1
InChIInChI=1S/C16H19FN2O2/c17-14-8-6-13(7-9-14)11-19-15(18-21-16(19)20)10-12-4-2-1-3-5-12/h6-9,12H,1-5,10-11H2
InChIKeyCYLANHPFYWTWOM-UHFFFAOYSA-N
XLogP3.15
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-(cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one (CID 135368968) is 3-(cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-(cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-(cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one is O=c1onc(CC2CCCCC2)n1Cc1ccc(F)cc1.
What is the InChIKey of 3-(cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
The InChIKey is CYLANHPFYWTWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c17-14-8-6-13(7-9-14)11-19-15(18-21-16(19)20)10-12-4-2-1-3-5-12/h6-9,12H,1-5,10-11H2.
What are the key properties of 3-(cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
3-(cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one has a molecular weight of 290.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 135368968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).