(3,3-dimethylazetidin-1-yl)-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanone

C14H14FN3O2 — CID 167787553

IUPAC(3,3-dimethylazetidin-1-yl)-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanone
SMILESCC1(C)CN(C(=O)c2noc(-c3cccc(F)c3)n2)C1
InChIInChI=1S/C14H14FN3O2/c1-14(2)7-18(8-14)13(19)11-16-12(20-17-11)9-4-3-5-10(15)6-9/h3-6H,7-8H2,1-2H3
InChIKeyOVLJMJXENKIOFV-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.36
Rot. Bonds2

About (3,3-dimethylazetidin-1-yl)-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanone

(3,3-dimethylazetidin-1-yl)-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanone (PubChem CID 167787553) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is (3,3-dimethylazetidin-1-yl)-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanone.

Molecular Properties

Compound Name(3,3-dimethylazetidin-1-yl)-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanone
PubChem CID167787553
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name(3,3-dimethylazetidin-1-yl)-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanone
SMILESCC1(C)CN(C(=O)c2noc(-c3cccc(F)c3)n2)C1
InChIInChI=1S/C14H14FN3O2/c1-14(2)7-18(8-14)13(19)11-16-12(20-17-11)9-4-3-5-10(15)6-9/h3-6H,7-8H2,1-2H3
InChIKeyOVLJMJXENKIOFV-UHFFFAOYSA-N
XLogP2.36
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylazetidin-1-yl)-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanone?
The IUPAC name of (3,3-dimethylazetidin-1-yl)-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanone (CID 167787553) is (3,3-dimethylazetidin-1-yl)-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanone.
What is the SMILES notation for (3,3-dimethylazetidin-1-yl)-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanone?
The canonical SMILES for (3,3-dimethylazetidin-1-yl)-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanone is CC1(C)CN(C(=O)c2noc(-c3cccc(F)c3)n2)C1.
What is the InChIKey of (3,3-dimethylazetidin-1-yl)-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanone?
The InChIKey is OVLJMJXENKIOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-14(2)7-18(8-14)13(19)11-16-12(20-17-11)9-4-3-5-10(15)6-9/h3-6H,7-8H2,1-2H3.
What are the key properties of (3,3-dimethylazetidin-1-yl)-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanone?
(3,3-dimethylazetidin-1-yl)-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanone has a molecular weight of 275.28 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylazetidin-1-yl)-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanone is sourced from PubChem (CID 167787553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).