3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-phenylpyrimidin-4-one

C14H12N4O2 — CID 119051691

IUPAC3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-phenylpyrimidin-4-one
SMILESCc1nnc(Cn2cncc(-c3ccccc3)c2=O)o1
InChIInChI=1S/C14H12N4O2/c1-10-16-17-13(20-10)8-18-9-15-7-12(14(18)19)11-5-3-2-4-6-11/h2-7,9H,8H2,1H3
InChIKeyPOAQGEWDCDCTSB-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.65
Rot. Bonds3

About 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-phenylpyrimidin-4-one

3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-phenylpyrimidin-4-one (PubChem CID 119051691) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-phenylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-phenylpyrimidin-4-one
PubChem CID119051691
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-phenylpyrimidin-4-one
SMILESCc1nnc(Cn2cncc(-c3ccccc3)c2=O)o1
InChIInChI=1S/C14H12N4O2/c1-10-16-17-13(20-10)8-18-9-15-7-12(14(18)19)11-5-3-2-4-6-11/h2-7,9H,8H2,1H3
InChIKeyPOAQGEWDCDCTSB-UHFFFAOYSA-N
XLogP1.65
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-phenylpyrimidin-4-one?
The IUPAC name of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-phenylpyrimidin-4-one (CID 119051691) is 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-phenylpyrimidin-4-one.
What is the SMILES notation for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-phenylpyrimidin-4-one?
The canonical SMILES for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-phenylpyrimidin-4-one is Cc1nnc(Cn2cncc(-c3ccccc3)c2=O)o1.
What is the InChIKey of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-phenylpyrimidin-4-one?
The InChIKey is POAQGEWDCDCTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-10-16-17-13(20-10)8-18-9-15-7-12(14(18)19)11-5-3-2-4-6-11/h2-7,9H,8H2,1H3.
What are the key properties of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-phenylpyrimidin-4-one?
3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-phenylpyrimidin-4-one has a molecular weight of 268.28 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-phenylpyrimidin-4-one is sourced from PubChem (CID 119051691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).