(3,3-difluoroazetidin-1-yl)-[4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-methylphenyl]phenyl]methanone

C21H19F2N3O2 — CID 161216240

IUPAC(3,3-difluoroazetidin-1-yl)-[4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-methylphenyl]phenyl]methanone
SMILESCCc1nnc(-c2ccc(-c3ccc(C(=O)N4CC(F)(F)C4)cc3)cc2C)o1
InChIInChI=1S/C21H19F2N3O2/c1-3-18-24-25-19(28-18)17-9-8-16(10-13(17)2)14-4-6-15(7-5-14)20(27)26-11-21(22,23)12-26/h4-10H,3,11-12H2,1-2H3
InChIKeyFJXYRURBWQRBMM-UHFFFAOYSA-N
MW383.40 g/mol
LogP4.37
Rot. Bonds4

About (3,3-difluoroazetidin-1-yl)-[4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-methylphenyl]phenyl]methanone

(3,3-difluoroazetidin-1-yl)-[4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-methylphenyl]phenyl]methanone (PubChem CID 161216240) has the molecular formula C21H19F2N3O2 and a molecular weight of 383.40 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-[4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-methylphenyl]phenyl]methanone.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-[4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-methylphenyl]phenyl]methanone
PubChem CID161216240
Molecular FormulaC21H19F2N3O2
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Name(3,3-difluoroazetidin-1-yl)-[4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-methylphenyl]phenyl]methanone
SMILESCCc1nnc(-c2ccc(-c3ccc(C(=O)N4CC(F)(F)C4)cc3)cc2C)o1
InChIInChI=1S/C21H19F2N3O2/c1-3-18-24-25-19(28-18)17-9-8-16(10-13(17)2)14-4-6-15(7-5-14)20(27)26-11-21(22,23)12-26/h4-10H,3,11-12H2,1-2H3
InChIKeyFJXYRURBWQRBMM-UHFFFAOYSA-N
XLogP4.37
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-[4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-methylphenyl]phenyl]methanone?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-[4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-methylphenyl]phenyl]methanone (CID 161216240) is (3,3-difluoroazetidin-1-yl)-[4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-methylphenyl]phenyl]methanone.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-[4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-methylphenyl]phenyl]methanone?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-[4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-methylphenyl]phenyl]methanone is CCc1nnc(-c2ccc(-c3ccc(C(=O)N4CC(F)(F)C4)cc3)cc2C)o1.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-[4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-methylphenyl]phenyl]methanone?
The InChIKey is FJXYRURBWQRBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O2/c1-3-18-24-25-19(28-18)17-9-8-16(10-13(17)2)14-4-6-15(7-5-14)20(27)26-11-21(22,23)12-26/h4-10H,3,11-12H2,1-2H3.
What are the key properties of (3,3-difluoroazetidin-1-yl)-[4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-methylphenyl]phenyl]methanone?
(3,3-difluoroazetidin-1-yl)-[4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-methylphenyl]phenyl]methanone has a molecular weight of 383.40 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoroazetidin-1-yl)-[4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-methylphenyl]phenyl]methanone is sourced from PubChem (CID 161216240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).