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

C24H22N4O5 — CID 118726923

IUPAC6-ethyl-3-(4-methoxyphenyl)-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
SMILESCCc1nc2onc(-c3ccc(OC)cc3)c2c(=O)n1-c1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C24H22N4O5/c1-3-19-25-23-21(22(26-33-23)15-4-10-18(31-2)11-5-15)24(30)28(19)17-8-6-16(7-9-17)27-12-13-32-14-20(27)29/h4-11H,3,12-14H2,1-2H3
InChIKeyPHZCDVJFBDYZAX-UHFFFAOYSA-N
MW446.46 g/mol
LogP2.97
Rot. Bonds5

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

6-ethyl-3-(4-methoxyphenyl)-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one (PubChem CID 118726923) has the molecular formula C24H22N4O5 and a molecular weight of 446.46 g/mol. Its IUPAC name is 6-ethyl-3-(4-methoxyphenyl)-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-3-(4-methoxyphenyl)-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
PubChem CID118726923
Molecular FormulaC24H22N4O5
Molecular Weight446.46 g/mol
Exact Mass446.16
IUPAC Name6-ethyl-3-(4-methoxyphenyl)-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
SMILESCCc1nc2onc(-c3ccc(OC)cc3)c2c(=O)n1-c1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C24H22N4O5/c1-3-19-25-23-21(22(26-33-23)15-4-10-18(31-2)11-5-15)24(30)28(19)17-8-6-16(7-9-17)27-12-13-32-14-20(27)29/h4-11H,3,12-14H2,1-2H3
InChIKeyPHZCDVJFBDYZAX-UHFFFAOYSA-N
XLogP2.97
TPSA99.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-ethyl-3-(4-methylphenyl)-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 118726922
3-(4-chlorophenyl)-6-methyl-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 118726915
1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazole-4-carbonitrile
CID 69238133
4-[4-[1-(4-methoxyphenyl)-7-oxo-3-(1H-1,2,4-triazol-5-yl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]morpholin-3-one
CID 141390176
7-ethyl-1-(4-methoxyphenyl)-8-methyl-3-(2-morpholin-4-ylethyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 43865485
N-[4-(3-oxomorpholin-4-yl)phenyl]-N-propylcarbamoyl iodide
CID 118233764
3-ethylsulfanyl-6-(4-methoxyphenyl)-4-morpholin-4-yl-1,2,4-triazin-5-one
CID 54090652
N-(4-ethoxyphenyl)-4-(3-oxomorpholin-4-yl)benzenesulfonamide
CID 110372508
4-(4-methoxy-3-propan-2-yloxyphenyl)morpholin-3-one
CID 165481667
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
4-[[5-(4-ethylphenyl)-1-(4-methoxyphenyl)-2-methylpyrrol-3-yl]methyl]morpholine
CID 86573409
methyl N-[(2R)-3-chloro-2-methylpropyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate
CID 59515501

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-(4-methoxyphenyl)-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-ethyl-3-(4-methoxyphenyl)-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one (CID 118726923) is 6-ethyl-3-(4-methoxyphenyl)-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-methoxyphenyl)-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-3-(4-methoxyphenyl)-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one is CCc1nc2onc(-c3ccc(OC)cc3)c2c(=O)n1-c1ccc(N2CCOCC2=O)cc1.
What is the InChIKey of 6-ethyl-3-(4-methoxyphenyl)-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The InChIKey is PHZCDVJFBDYZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O5/c1-3-19-25-23-21(22(26-33-23)15-4-10-18(31-2)11-5-15)24(30)28(19)17-8-6-16(7-9-17)27-12-13-32-14-20(27)29/h4-11H,3,12-14H2,1-2H3.
What are the key properties of 6-ethyl-3-(4-methoxyphenyl)-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
6-ethyl-3-(4-methoxyphenyl)-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one has a molecular weight of 446.46 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-(4-methoxyphenyl)-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 118726923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).