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

C19H13F2N5O2 — CID 178112039

IUPAC3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-2-pyridin-2-ylpyrimidin-4-one
SMILESO=c1ccnc(-c2ccccn2)n1Cc1ccc(-c2nnc(C(F)F)o2)cc1
InChIInChI=1S/C19H13F2N5O2/c20-16(21)19-25-24-18(28-19)13-6-4-12(5-7-13)11-26-15(27)8-10-23-17(26)14-3-1-2-9-22-14/h1-10,16H,11H2
InChIKeyCBPTZICLCZJNJP-UHFFFAOYSA-N
MW381.34 g/mol
LogP3.34
Rot. Bonds5

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

3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-2-pyridin-2-ylpyrimidin-4-one (PubChem CID 178112039) has the molecular formula C19H13F2N5O2 and a molecular weight of 381.34 g/mol. Its IUPAC name is 3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-2-pyridin-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-2-pyridin-2-ylpyrimidin-4-one
PubChem CID178112039
Molecular FormulaC19H13F2N5O2
Molecular Weight381.34 g/mol
Exact Mass381.10
IUPAC Name3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-2-pyridin-2-ylpyrimidin-4-one
SMILESO=c1ccnc(-c2ccccn2)n1Cc1ccc(-c2nnc(C(F)F)o2)cc1
InChIInChI=1S/C19H13F2N5O2/c20-16(21)19-25-24-18(28-19)13-6-4-12(5-7-13)11-26-15(27)8-10-23-17(26)14-3-1-2-9-22-14/h1-10,16H,11H2
InChIKeyCBPTZICLCZJNJP-UHFFFAOYSA-N
XLogP3.34
TPSA86.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-2-pyridin-2-ylpyrimidin-4-one?
The IUPAC name of 3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-2-pyridin-2-ylpyrimidin-4-one (CID 178112039) is 3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-2-pyridin-2-ylpyrimidin-4-one.
What is the SMILES notation for 3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-2-pyridin-2-ylpyrimidin-4-one?
The canonical SMILES for 3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-2-pyridin-2-ylpyrimidin-4-one is O=c1ccnc(-c2ccccn2)n1Cc1ccc(-c2nnc(C(F)F)o2)cc1.
What is the InChIKey of 3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-2-pyridin-2-ylpyrimidin-4-one?
The InChIKey is CBPTZICLCZJNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N5O2/c20-16(21)19-25-24-18(28-19)13-6-4-12(5-7-13)11-26-15(27)8-10-23-17(26)14-3-1-2-9-22-14/h1-10,16H,11H2.
What are the key properties of 3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-2-pyridin-2-ylpyrimidin-4-one?
3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-2-pyridin-2-ylpyrimidin-4-one has a molecular weight of 381.34 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-2-pyridin-2-ylpyrimidin-4-one is sourced from PubChem (CID 178112039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).