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

C22H17ClN4O4 — CID 118726915

IUPAC3-(4-chlorophenyl)-6-methyl-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2onc(-c3ccc(Cl)cc3)c2c(=O)n1-c1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C22H17ClN4O4/c1-13-24-21-19(20(25-31-21)14-2-4-15(23)5-3-14)22(29)27(13)17-8-6-16(7-9-17)26-10-11-30-12-18(26)28/h2-9H,10-12H2,1H3
InChIKeyPLKZPTKFOZACJF-UHFFFAOYSA-N
MW436.86 g/mol
LogP3.37
Rot. Bonds3

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

3-(4-chlorophenyl)-6-methyl-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one (PubChem CID 118726915) has the molecular formula C22H17ClN4O4 and a molecular weight of 436.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-methyl-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-methyl-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
PubChem CID118726915
Molecular FormulaC22H17ClN4O4
Molecular Weight436.86 g/mol
Exact Mass436.09
IUPAC Name3-(4-chlorophenyl)-6-methyl-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2onc(-c3ccc(Cl)cc3)c2c(=O)n1-c1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C22H17ClN4O4/c1-13-24-21-19(20(25-31-21)14-2-4-15(23)5-3-14)22(29)27(13)17-8-6-16(7-9-17)26-10-11-30-12-18(26)28/h2-9H,10-12H2,1H3
InChIKeyPLKZPTKFOZACJF-UHFFFAOYSA-N
XLogP3.37
TPSA90.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.86
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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
6-ethyl-3-(4-methoxyphenyl)-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 118726923
4-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)morpholin-3-one
CID 178121637
(2R)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 69450357
1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazole-4-carbonitrile
CID 69238133
1-[4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(3-oxomorpholin-4-yl)phenyl]urea
CID 89181843
4-[5-chloro-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidin-4-yl]-N-(cyanomethyl)benzamide
CID 170790883
5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
CID 25099710
4-[4-(propan-2-ylamino)phenyl]morpholin-3-one
CID 70327069
4-(3-amino-4-chlorophenyl)morpholin-3-one
CID 82512872
(4R)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 42586048
7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
CID 12887277

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-methyl-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3-(4-chlorophenyl)-6-methyl-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one (CID 118726915) is 3-(4-chlorophenyl)-6-methyl-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-6-methyl-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-6-methyl-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one is Cc1nc2onc(-c3ccc(Cl)cc3)c2c(=O)n1-c1ccc(N2CCOCC2=O)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-6-methyl-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The InChIKey is PLKZPTKFOZACJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O4/c1-13-24-21-19(20(25-31-21)14-2-4-15(23)5-3-14)22(29)27(13)17-8-6-16(7-9-17)26-10-11-30-12-18(26)28/h2-9H,10-12H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-6-methyl-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
3-(4-chlorophenyl)-6-methyl-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one has a molecular weight of 436.86 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-methyl-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 118726915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).