9-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyrido[1,2-a]pyrimidin-4-one

C19H16N4O2 — CID 75471492

IUPAC9-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)c(-c3nc(CCc4ccccc4)no3)cnc12
InChIInChI=1S/C19H16N4O2/c1-13-6-5-11-23-17(13)20-12-15(19(23)24)18-21-16(22-25-18)10-9-14-7-3-2-4-8-14/h2-8,11-12H,9-10H2,1H3
InChIKeyXQGRDTKPVBUIEH-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.84
Rot. Bonds4

About 9-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyrido[1,2-a]pyrimidin-4-one

9-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 75471492) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 9-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID75471492
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name9-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)c(-c3nc(CCc4ccccc4)no3)cnc12
InChIInChI=1S/C19H16N4O2/c1-13-6-5-11-23-17(13)20-12-15(19(23)24)18-21-16(22-25-18)10-9-14-7-3-2-4-8-14/h2-8,11-12H,9-10H2,1H3
InChIKeyXQGRDTKPVBUIEH-UHFFFAOYSA-N
XLogP2.84
TPSA73.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine
CID 10379052
4-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63654035
5-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 63618217
2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813443
3-(diaminomethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 118424269
3-(benzylamino)-4-benzylimino-10-methylpyrido[1,2-a][1,3]diazepin-5-one
CID 23851656
2-methyl-4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751099
2-methyl-5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63847009
4-fluoro-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137011370
4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-sulfonamide
CID 99839607
3-(chloromethyl)-8-methylimidazo[1,2-a]pyridine
CID 10726071
N-methyl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 25220757

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyrido[1,2-a]pyrimidin-4-one (CID 75471492) is 9-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)c(-c3nc(CCc4ccccc4)no3)cnc12.
What is the InChIKey of 9-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XQGRDTKPVBUIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-13-6-5-11-23-17(13)20-12-15(19(23)24)18-21-16(22-25-18)10-9-14-7-3-2-4-8-14/h2-8,11-12H,9-10H2,1H3.
What are the key properties of 9-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyrido[1,2-a]pyrimidin-4-one?
9-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 332.36 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 75471492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).