6-ethyl-3-(4-methylphenyl)-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one

C24H22N4O4 — CID 118726922

IUPAC6-ethyl-3-(4-methylphenyl)-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
SMILESCCc1nc2onc(-c3ccc(C)cc3)c2c(=O)n1-c1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C24H22N4O4/c1-3-19-25-23-21(22(26-32-23)16-6-4-15(2)5-7-16)24(30)28(19)18-10-8-17(9-11-18)27-12-13-31-14-20(27)29/h4-11H,3,12-14H2,1-2H3
InChIKeyVDEKDNROSZWTHW-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.27
Rot. Bonds4

About 6-ethyl-3-(4-methylphenyl)-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one

6-ethyl-3-(4-methylphenyl)-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one (PubChem CID 118726922) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is 6-ethyl-3-(4-methylphenyl)-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-3-(4-methylphenyl)-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
PubChem CID118726922
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name6-ethyl-3-(4-methylphenyl)-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
SMILESCCc1nc2onc(-c3ccc(C)cc3)c2c(=O)n1-c1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C24H22N4O4/c1-3-19-25-23-21(22(26-32-23)16-6-4-15(2)5-7-16)24(30)28(19)18-10-8-17(9-11-18)27-12-13-31-14-20(27)29/h4-11H,3,12-14H2,1-2H3
InChIKeyVDEKDNROSZWTHW-UHFFFAOYSA-N
XLogP3.27
TPSA90.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-(4-methylphenyl)-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-ethyl-3-(4-methylphenyl)-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one (CID 118726922) is 6-ethyl-3-(4-methylphenyl)-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-3-(4-methylphenyl)-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-3-(4-methylphenyl)-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one is CCc1nc2onc(-c3ccc(C)cc3)c2c(=O)n1-c1ccc(N2CCOCC2=O)cc1.
What is the InChIKey of 6-ethyl-3-(4-methylphenyl)-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The InChIKey is VDEKDNROSZWTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-3-19-25-23-21(22(26-32-23)16-6-4-15(2)5-7-16)24(30)28(19)18-10-8-17(9-11-18)27-12-13-31-14-20(27)29/h4-11H,3,12-14H2,1-2H3.
What are the key properties of 6-ethyl-3-(4-methylphenyl)-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
6-ethyl-3-(4-methylphenyl)-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one has a molecular weight of 430.46 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-(4-methylphenyl)-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 118726922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).