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

C13H13F2N3O3 — CID 167346845

IUPAC4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(oxolan-2-ylmethyl)pyridin-2-one
SMILESO=c1cc(-c2nnc(C(F)F)o2)ccn1CC1CCCO1
InChIInChI=1S/C13H13F2N3O3/c14-11(15)13-17-16-12(21-13)8-3-4-18(10(19)6-8)7-9-2-1-5-20-9/h3-4,6,9,11H,1-2,5,7H2
InChIKeySKIAIWHKGZNCQV-UHFFFAOYSA-N
MW297.26 g/mol
LogP2.01
Rot. Bonds4

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

4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(oxolan-2-ylmethyl)pyridin-2-one (PubChem CID 167346845) has the molecular formula C13H13F2N3O3 and a molecular weight of 297.26 g/mol. Its IUPAC name is 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(oxolan-2-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(oxolan-2-ylmethyl)pyridin-2-one
PubChem CID167346845
Molecular FormulaC13H13F2N3O3
Molecular Weight297.26 g/mol
Exact Mass297.09
IUPAC Name4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(oxolan-2-ylmethyl)pyridin-2-one
SMILESO=c1cc(-c2nnc(C(F)F)o2)ccn1CC1CCCO1
InChIInChI=1S/C13H13F2N3O3/c14-11(15)13-17-16-12(21-13)8-3-4-18(10(19)6-8)7-9-2-1-5-20-9/h3-4,6,9,11H,1-2,5,7H2
InChIKeySKIAIWHKGZNCQV-UHFFFAOYSA-N
XLogP2.01
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(oxolan-2-ylmethyl)pyridin-2-one?
The IUPAC name of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(oxolan-2-ylmethyl)pyridin-2-one (CID 167346845) is 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(oxolan-2-ylmethyl)pyridin-2-one.
What is the SMILES notation for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(oxolan-2-ylmethyl)pyridin-2-one?
The canonical SMILES for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(oxolan-2-ylmethyl)pyridin-2-one is O=c1cc(-c2nnc(C(F)F)o2)ccn1CC1CCCO1.
What is the InChIKey of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(oxolan-2-ylmethyl)pyridin-2-one?
The InChIKey is SKIAIWHKGZNCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O3/c14-11(15)13-17-16-12(21-13)8-3-4-18(10(19)6-8)7-9-2-1-5-20-9/h3-4,6,9,11H,1-2,5,7H2.
What are the key properties of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(oxolan-2-ylmethyl)pyridin-2-one?
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(oxolan-2-ylmethyl)pyridin-2-one has a molecular weight of 297.26 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(oxolan-2-ylmethyl)pyridin-2-one is sourced from PubChem (CID 167346845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).