3-hydroxy-7-methyl-2-(5-phenyl-1,3-oxazol-2-yl)pyrido[1,2-a]pyrimidin-4-one

C18H13N3O3 — CID 135993608

IUPAC3-hydroxy-7-methyl-2-(5-phenyl-1,3-oxazol-2-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(-c3ncc(-c4ccccc4)o3)c(O)c(=O)n2c1
InChIInChI=1S/C18H13N3O3/c1-11-7-8-14-20-15(16(22)18(23)21(14)10-11)17-19-9-13(24-17)12-5-3-2-4-6-12/h2-10,22H,1H3
InChIKeyVUDWKWROVMHUAY-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.03
Rot. Bonds2

About 3-hydroxy-7-methyl-2-(5-phenyl-1,3-oxazol-2-yl)pyrido[1,2-a]pyrimidin-4-one

3-hydroxy-7-methyl-2-(5-phenyl-1,3-oxazol-2-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 135993608) has the molecular formula C18H13N3O3 and a molecular weight of 319.32 g/mol. Its IUPAC name is 3-hydroxy-7-methyl-2-(5-phenyl-1,3-oxazol-2-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-hydroxy-7-methyl-2-(5-phenyl-1,3-oxazol-2-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID135993608
Molecular FormulaC18H13N3O3
Molecular Weight319.32 g/mol
Exact Mass319.10
IUPAC Name3-hydroxy-7-methyl-2-(5-phenyl-1,3-oxazol-2-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(-c3ncc(-c4ccccc4)o3)c(O)c(=O)n2c1
InChIInChI=1S/C18H13N3O3/c1-11-7-8-14-20-15(16(22)18(23)21(14)10-11)17-19-9-13(24-17)12-5-3-2-4-6-12/h2-10,22H,1H3
InChIKeyVUDWKWROVMHUAY-UHFFFAOYSA-N
XLogP3.03
TPSA80.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-7-methyl-2-(5-phenyl-1,3-oxazol-2-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-hydroxy-7-methyl-2-(5-phenyl-1,3-oxazol-2-yl)pyrido[1,2-a]pyrimidin-4-one (CID 135993608) is 3-hydroxy-7-methyl-2-(5-phenyl-1,3-oxazol-2-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-hydroxy-7-methyl-2-(5-phenyl-1,3-oxazol-2-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-hydroxy-7-methyl-2-(5-phenyl-1,3-oxazol-2-yl)pyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(-c3ncc(-c4ccccc4)o3)c(O)c(=O)n2c1.
What is the InChIKey of 3-hydroxy-7-methyl-2-(5-phenyl-1,3-oxazol-2-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VUDWKWROVMHUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3/c1-11-7-8-14-20-15(16(22)18(23)21(14)10-11)17-19-9-13(24-17)12-5-3-2-4-6-12/h2-10,22H,1H3.
What are the key properties of 3-hydroxy-7-methyl-2-(5-phenyl-1,3-oxazol-2-yl)pyrido[1,2-a]pyrimidin-4-one?
3-hydroxy-7-methyl-2-(5-phenyl-1,3-oxazol-2-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 319.32 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-7-methyl-2-(5-phenyl-1,3-oxazol-2-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135993608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).