2-methyl-5-[(N-methylanilino)methyl]-[1,2]oxazolo[2,3-a]pyrimidin-7-one

C15H15N3O2 — CID 20939155

IUPAC2-methyl-5-[(N-methylanilino)methyl]-[1,2]oxazolo[2,3-a]pyrimidin-7-one
SMILESCc1cc2nc(CN(C)c3ccccc3)cc(=O)n2o1
InChIInChI=1S/C15H15N3O2/c1-11-8-14-16-12(9-15(19)18(14)20-11)10-17(2)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3
InChIKeyWHGAROTZIHXKDN-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.23
Rot. Bonds3

About 2-methyl-5-[(N-methylanilino)methyl]-[1,2]oxazolo[2,3-a]pyrimidin-7-one

2-methyl-5-[(N-methylanilino)methyl]-[1,2]oxazolo[2,3-a]pyrimidin-7-one (PubChem CID 20939155) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-methyl-5-[(N-methylanilino)methyl]-[1,2]oxazolo[2,3-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-5-[(N-methylanilino)methyl]-[1,2]oxazolo[2,3-a]pyrimidin-7-one
PubChem CID20939155
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-methyl-5-[(N-methylanilino)methyl]-[1,2]oxazolo[2,3-a]pyrimidin-7-one
SMILESCc1cc2nc(CN(C)c3ccccc3)cc(=O)n2o1
InChIInChI=1S/C15H15N3O2/c1-11-8-14-16-12(9-15(19)18(14)20-11)10-17(2)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3
InChIKeyWHGAROTZIHXKDN-UHFFFAOYSA-N
XLogP2.23
TPSA50.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(N-methylanilino)methyl]-[1,2]oxazolo[2,3-a]pyrimidin-7-one?
The IUPAC name of 2-methyl-5-[(N-methylanilino)methyl]-[1,2]oxazolo[2,3-a]pyrimidin-7-one (CID 20939155) is 2-methyl-5-[(N-methylanilino)methyl]-[1,2]oxazolo[2,3-a]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-5-[(N-methylanilino)methyl]-[1,2]oxazolo[2,3-a]pyrimidin-7-one?
The canonical SMILES for 2-methyl-5-[(N-methylanilino)methyl]-[1,2]oxazolo[2,3-a]pyrimidin-7-one is Cc1cc2nc(CN(C)c3ccccc3)cc(=O)n2o1.
What is the InChIKey of 2-methyl-5-[(N-methylanilino)methyl]-[1,2]oxazolo[2,3-a]pyrimidin-7-one?
The InChIKey is WHGAROTZIHXKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-11-8-14-16-12(9-15(19)18(14)20-11)10-17(2)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3.
What are the key properties of 2-methyl-5-[(N-methylanilino)methyl]-[1,2]oxazolo[2,3-a]pyrimidin-7-one?
2-methyl-5-[(N-methylanilino)methyl]-[1,2]oxazolo[2,3-a]pyrimidin-7-one has a molecular weight of 269.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(N-methylanilino)methyl]-[1,2]oxazolo[2,3-a]pyrimidin-7-one is sourced from PubChem (CID 20939155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).