3-methyl-5-[(2-methylphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one

C14H13N3O2 — CID 22334920

IUPAC3-methyl-5-[(2-methylphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccccc1Cn1cnc2onc(C)c2c1=O
InChIInChI=1S/C14H13N3O2/c1-9-5-3-4-6-11(9)7-17-8-15-13-12(14(17)18)10(2)16-19-13/h3-6,8H,7H2,1-2H3
InChIKeyPFIRKNVEXBAGFT-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.05
Rot. Bonds2

About 3-methyl-5-[(2-methylphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one

3-methyl-5-[(2-methylphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one (PubChem CID 22334920) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-methyl-5-[(2-methylphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-5-[(2-methylphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
PubChem CID22334920
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name3-methyl-5-[(2-methylphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccccc1Cn1cnc2onc(C)c2c1=O
InChIInChI=1S/C14H13N3O2/c1-9-5-3-4-6-11(9)7-17-8-15-13-12(14(17)18)10(2)16-19-13/h3-6,8H,7H2,1-2H3
InChIKeyPFIRKNVEXBAGFT-UHFFFAOYSA-N
XLogP2.05
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2-methylphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-5-[(2-methylphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one (CID 22334920) is 3-methyl-5-[(2-methylphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-5-[(2-methylphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-5-[(2-methylphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one is Cc1ccccc1Cn1cnc2onc(C)c2c1=O.
What is the InChIKey of 3-methyl-5-[(2-methylphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The InChIKey is PFIRKNVEXBAGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-9-5-3-4-6-11(9)7-17-8-15-13-12(14(17)18)10(2)16-19-13/h3-6,8H,7H2,1-2H3.
What are the key properties of 3-methyl-5-[(2-methylphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
3-methyl-5-[(2-methylphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one has a molecular weight of 255.28 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2-methylphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 22334920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).