3,6-dimethyl-5-[(3-methylphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one

C15H15N3O2 — CID 53008114

IUPAC3,6-dimethyl-5-[(3-methylphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
SMILESCc1cccc(Cn2c(C)nc3onc(C)c3c2=O)c1
InChIInChI=1S/C15H15N3O2/c1-9-5-4-6-12(7-9)8-18-11(3)16-14-13(15(18)19)10(2)17-20-14/h4-7H,8H2,1-3H3
InChIKeyBKFVPMAIITXYSE-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.36
Rot. Bonds2

About 3,6-dimethyl-5-[(3-methylphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one

3,6-dimethyl-5-[(3-methylphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one (PubChem CID 53008114) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3,6-dimethyl-5-[(3-methylphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3,6-dimethyl-5-[(3-methylphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
PubChem CID53008114
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name3,6-dimethyl-5-[(3-methylphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
SMILESCc1cccc(Cn2c(C)nc3onc(C)c3c2=O)c1
InChIInChI=1S/C15H15N3O2/c1-9-5-4-6-12(7-9)8-18-11(3)16-14-13(15(18)19)10(2)17-20-14/h4-7H,8H2,1-3H3
InChIKeyBKFVPMAIITXYSE-UHFFFAOYSA-N
XLogP2.36
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-5-[(3-methylphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3,6-dimethyl-5-[(3-methylphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one (CID 53008114) is 3,6-dimethyl-5-[(3-methylphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3,6-dimethyl-5-[(3-methylphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3,6-dimethyl-5-[(3-methylphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one is Cc1cccc(Cn2c(C)nc3onc(C)c3c2=O)c1.
What is the InChIKey of 3,6-dimethyl-5-[(3-methylphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The InChIKey is BKFVPMAIITXYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9-5-4-6-12(7-9)8-18-11(3)16-14-13(15(18)19)10(2)17-20-14/h4-7H,8H2,1-3H3.
What are the key properties of 3,6-dimethyl-5-[(3-methylphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
3,6-dimethyl-5-[(3-methylphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one has a molecular weight of 269.30 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-5-[(3-methylphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 53008114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).