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

C18H18N4O3 — CID 20924644

IUPAC3-methyl-5-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
SMILESCc1noc2ncn(CC(=O)N3CCC(c4ccccc4)C3)c(=O)c12
InChIInChI=1S/C18H18N4O3/c1-12-16-17(25-20-12)19-11-22(18(16)24)10-15(23)21-8-7-14(9-21)13-5-3-2-4-6-13/h2-6,11,14H,7-10H2,1H3
InChIKeyDEGYWOMKJUUDHF-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.71
Rot. Bonds3

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

3-methyl-5-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one (PubChem CID 20924644) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 3-methyl-5-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-5-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
PubChem CID20924644
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name3-methyl-5-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
SMILESCc1noc2ncn(CC(=O)N3CCC(c4ccccc4)C3)c(=O)c12
InChIInChI=1S/C18H18N4O3/c1-12-16-17(25-20-12)19-11-22(18(16)24)10-15(23)21-8-7-14(9-21)13-5-3-2-4-6-13/h2-6,11,14H,7-10H2,1H3
InChIKeyDEGYWOMKJUUDHF-UHFFFAOYSA-N
XLogP1.71
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-5-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one (CID 20924644) is 3-methyl-5-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-5-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-5-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one is Cc1noc2ncn(CC(=O)N3CCC(c4ccccc4)C3)c(=O)c12.
What is the InChIKey of 3-methyl-5-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The InChIKey is DEGYWOMKJUUDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-12-16-17(25-20-12)19-11-22(18(16)24)10-15(23)21-8-7-14(9-21)13-5-3-2-4-6-13/h2-6,11,14H,7-10H2,1H3.
What are the key properties of 3-methyl-5-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
3-methyl-5-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one has a molecular weight of 338.37 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 20924644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).