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

C16H19FN2O2 — CID 135369023

IUPAC4-(cyclohexylmethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(Cc2cccc(F)c2)n1CC1CCCCC1
InChIInChI=1S/C16H19FN2O2/c17-14-8-4-7-13(9-14)10-15-18-21-16(20)19(15)11-12-5-2-1-3-6-12/h4,7-9,12H,1-3,5-6,10-11H2
InChIKeyJSSOJOQQLKGOBY-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.15
Rot. Bonds4

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

4-(cyclohexylmethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one (PubChem CID 135369023) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
PubChem CID135369023
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name4-(cyclohexylmethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(Cc2cccc(F)c2)n1CC1CCCCC1
InChIInChI=1S/C16H19FN2O2/c17-14-8-4-7-13(9-14)10-15-18-21-16(20)19(15)11-12-5-2-1-3-6-12/h4,7-9,12H,1-3,5-6,10-11H2
InChIKeyJSSOJOQQLKGOBY-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 4-(cyclohexylmethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-(cyclohexylmethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one (CID 135369023) is 4-(cyclohexylmethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-(cyclohexylmethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-(cyclohexylmethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one is O=c1onc(Cc2cccc(F)c2)n1CC1CCCCC1.
What is the InChIKey of 4-(cyclohexylmethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
The InChIKey is JSSOJOQQLKGOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c17-14-8-4-7-13(9-14)10-15-18-21-16(20)19(15)11-12-5-2-1-3-6-12/h4,7-9,12H,1-3,5-6,10-11H2.
What are the key properties of 4-(cyclohexylmethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
4-(cyclohexylmethyl)-3-[(3-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 4-(cyclohexylmethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 135369023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).