4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(1-pyridin-2-ylazetidin-3-yl)pyridin-2-one

C16H13F2N5O2 — CID 167346841

IUPAC4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(1-pyridin-2-ylazetidin-3-yl)pyridin-2-one
SMILESO=c1cc(-c2nnc(C(F)F)o2)ccn1C1CN(c2ccccn2)C1
InChIInChI=1S/C16H13F2N5O2/c17-14(18)16-21-20-15(25-16)10-4-6-23(13(24)7-10)11-8-22(9-11)12-3-1-2-5-19-12/h1-7,11,14H,8-9H2
InChIKeyRXPMQQKSBGYRGH-UHFFFAOYSA-N
MW345.31 g/mol
LogP2.29
Rot. Bonds4

About 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(1-pyridin-2-ylazetidin-3-yl)pyridin-2-one

4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(1-pyridin-2-ylazetidin-3-yl)pyridin-2-one (PubChem CID 167346841) has the molecular formula C16H13F2N5O2 and a molecular weight of 345.31 g/mol. Its IUPAC name is 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(1-pyridin-2-ylazetidin-3-yl)pyridin-2-one.

Molecular Properties

Compound Name4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(1-pyridin-2-ylazetidin-3-yl)pyridin-2-one
PubChem CID167346841
Molecular FormulaC16H13F2N5O2
Molecular Weight345.31 g/mol
Exact Mass345.10
IUPAC Name4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(1-pyridin-2-ylazetidin-3-yl)pyridin-2-one
SMILESO=c1cc(-c2nnc(C(F)F)o2)ccn1C1CN(c2ccccn2)C1
InChIInChI=1S/C16H13F2N5O2/c17-14(18)16-21-20-15(25-16)10-4-6-23(13(24)7-10)11-8-22(9-11)12-3-1-2-5-19-12/h1-7,11,14H,8-9H2
InChIKeyRXPMQQKSBGYRGH-UHFFFAOYSA-N
XLogP2.29
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(1-pyridin-2-ylazetidin-3-yl)pyridin-2-one?
The IUPAC name of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(1-pyridin-2-ylazetidin-3-yl)pyridin-2-one (CID 167346841) is 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(1-pyridin-2-ylazetidin-3-yl)pyridin-2-one.
What is the SMILES notation for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(1-pyridin-2-ylazetidin-3-yl)pyridin-2-one?
The canonical SMILES for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(1-pyridin-2-ylazetidin-3-yl)pyridin-2-one is O=c1cc(-c2nnc(C(F)F)o2)ccn1C1CN(c2ccccn2)C1.
What is the InChIKey of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(1-pyridin-2-ylazetidin-3-yl)pyridin-2-one?
The InChIKey is RXPMQQKSBGYRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5O2/c17-14(18)16-21-20-15(25-16)10-4-6-23(13(24)7-10)11-8-22(9-11)12-3-1-2-5-19-12/h1-7,11,14H,8-9H2.
What are the key properties of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(1-pyridin-2-ylazetidin-3-yl)pyridin-2-one?
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(1-pyridin-2-ylazetidin-3-yl)pyridin-2-one has a molecular weight of 345.31 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(1-pyridin-2-ylazetidin-3-yl)pyridin-2-one is sourced from PubChem (CID 167346841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).