5-(4-fluorophenyl)-3-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-one

C14H15FN2O3 — CID 42921245

IUPAC5-(4-fluorophenyl)-3-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccc(F)cc2)nn1CC1CCCCO1
InChIInChI=1S/C14H15FN2O3/c15-11-6-4-10(5-7-11)13-16-17(14(18)20-13)9-12-3-1-2-8-19-12/h4-7,12H,1-3,8-9H2
InChIKeyYQQXDQMDDXMYAP-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.21
Rot. Bonds3

About 5-(4-fluorophenyl)-3-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-one

5-(4-fluorophenyl)-3-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-one (PubChem CID 42921245) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-one
PubChem CID42921245
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name5-(4-fluorophenyl)-3-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccc(F)cc2)nn1CC1CCCCO1
InChIInChI=1S/C14H15FN2O3/c15-11-6-4-10(5-7-11)13-16-17(14(18)20-13)9-12-3-1-2-8-19-12/h4-7,12H,1-3,8-9H2
InChIKeyYQQXDQMDDXMYAP-UHFFFAOYSA-N
XLogP2.21
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(furan-2-yl)-3-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-one
CID 71900988
3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
CID 9119508
3-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
CID 11936731
N-(cyclopentylcarbamoyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 27040105
[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
CID 46678571
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9210739
2-[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]ethyl]isoindole-1,3-dione
CID 27039673
5-(4-fluorophenyl)-3-[2-(4-iodophenyl)-2-oxoethyl]-1,3,4-oxadiazol-2-one
CID 46638792
5-(4-fluorophenyl)-3-[(4-prop-2-ynylpiperazin-1-yl)methyl]-1,3,4-oxadiazol-2-one
CID 36622615
3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
CID 18139790
N-(3,4-dihydro-2H-chromen-4-yl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 84941430
5-(4-fluorophenyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,3,4-oxadiazol-2-one
CID 37175464

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(4-fluorophenyl)-3-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-one (CID 42921245) is 5-(4-fluorophenyl)-3-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-one is O=c1oc(-c2ccc(F)cc2)nn1CC1CCCCO1.
What is the InChIKey of 5-(4-fluorophenyl)-3-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-one?
The InChIKey is YQQXDQMDDXMYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c15-11-6-4-10(5-7-11)13-16-17(14(18)20-13)9-12-3-1-2-8-19-12/h4-7,12H,1-3,8-9H2.
What are the key properties of 5-(4-fluorophenyl)-3-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-one?
5-(4-fluorophenyl)-3-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-one has a molecular weight of 278.28 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 42921245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).