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

C11H10N4O3 — CID 146109176

IUPAC3-methyl-5-[(2-methyl-1,3-oxazol-5-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
SMILESCc1ncc(Cn2cnc3onc(C)c3c2=O)o1
InChIInChI=1S/C11H10N4O3/c1-6-9-10(18-14-6)13-5-15(11(9)16)4-8-3-12-7(2)17-8/h3,5H,4H2,1-2H3
InChIKeyRBQJTFLLLLJHFJ-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.04
Rot. Bonds2

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

3-methyl-5-[(2-methyl-1,3-oxazol-5-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one (PubChem CID 146109176) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 3-methyl-5-[(2-methyl-1,3-oxazol-5-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-5-[(2-methyl-1,3-oxazol-5-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
PubChem CID146109176
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name3-methyl-5-[(2-methyl-1,3-oxazol-5-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
SMILESCc1ncc(Cn2cnc3onc(C)c3c2=O)o1
InChIInChI=1S/C11H10N4O3/c1-6-9-10(18-14-6)13-5-15(11(9)16)4-8-3-12-7(2)17-8/h3,5H,4H2,1-2H3
InChIKeyRBQJTFLLLLJHFJ-UHFFFAOYSA-N
XLogP1.04
TPSA86.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-methyl-5-[(2-methyl-1,3-oxazol-5-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

3-methyl-5-[(2-methylphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 22334920
5-amino-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 91328026
5-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 22575316
2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N,N-dipropylacetamide
CID 46350083
3-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 167932875
5-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 22575313
N-(2,3-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086651
5-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 22575323
N-(2-methoxyphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086653
N-(3-methoxypropyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 46350088
3-methyl-5-pentan-2-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 166689009
N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086660

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2-methyl-1,3-oxazol-5-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-5-[(2-methyl-1,3-oxazol-5-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one (CID 146109176) is 3-methyl-5-[(2-methyl-1,3-oxazol-5-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-5-[(2-methyl-1,3-oxazol-5-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-5-[(2-methyl-1,3-oxazol-5-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one is Cc1ncc(Cn2cnc3onc(C)c3c2=O)o1.
What is the InChIKey of 3-methyl-5-[(2-methyl-1,3-oxazol-5-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The InChIKey is RBQJTFLLLLJHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c1-6-9-10(18-14-6)13-5-15(11(9)16)4-8-3-12-7(2)17-8/h3,5H,4H2,1-2H3.
What are the key properties of 3-methyl-5-[(2-methyl-1,3-oxazol-5-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
3-methyl-5-[(2-methyl-1,3-oxazol-5-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one has a molecular weight of 246.23 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2-methyl-1,3-oxazol-5-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 146109176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).