3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one

C24H22ClN3O3 — CID 91911995

IUPAC3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one
SMILESCc1nc(-c2ccccc2)n(Cc2nc(-c3cccc(Cl)c3)oc2C)c(=O)c1CCO
InChIInChI=1S/C24H22ClN3O3/c1-15-20(11-12-29)24(30)28(22(26-15)17-7-4-3-5-8-17)14-21-16(2)31-23(27-21)18-9-6-10-19(25)13-18/h3-10,13,29H,11-12,14H2,1-2H3
InChIKeyUMBDBSHQFKKEDT-UHFFFAOYSA-N
MW435.91 g/mol
LogP4.42
Rot. Bonds6

About 3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one

3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one (PubChem CID 91911995) has the molecular formula C24H22ClN3O3 and a molecular weight of 435.91 g/mol. Its IUPAC name is 3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one
PubChem CID91911995
Molecular FormulaC24H22ClN3O3
Molecular Weight435.91 g/mol
Exact Mass435.13
IUPAC Name3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one
SMILESCc1nc(-c2ccccc2)n(Cc2nc(-c3cccc(Cl)c3)oc2C)c(=O)c1CCO
InChIInChI=1S/C24H22ClN3O3/c1-15-20(11-12-29)24(30)28(22(26-15)17-7-4-3-5-8-17)14-21-16(2)31-23(27-21)18-9-6-10-19(25)13-18/h3-10,13,29H,11-12,14H2,1-2H3
InChIKeyUMBDBSHQFKKEDT-UHFFFAOYSA-N
XLogP4.42
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.91
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-benzyl-2-(4-chlorophenyl)-5-(2-hydroxyethyl)-6-methylpyrimidin-4-one
CID 91912057
2-(3-chlorophenyl)-5-(2-hydroxyethyl)-3-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-one
CID 91912089
5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]-2-phenylpyrimidin-4-one
CID 53191834
3-[(3-fluorophenyl)methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one
CID 53191837
N-benzyl-2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51368921
3-[(2,4-difluorophenyl)methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one
CID 91912004
N-(4-chloro-2-fluorophenyl)-2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51368967
2-[(2S)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]ethanol
CID 95394340
3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 50811229
5-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-(hydroxymethyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91894106
N-(2-chloro-6-methylphenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide
CID 51368553
2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(3,4-dimethylphenyl)methyl]acetamide
CID 51369032

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one?
The IUPAC name of 3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one (CID 91911995) is 3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one.
What is the SMILES notation for 3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one?
The canonical SMILES for 3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one is Cc1nc(-c2ccccc2)n(Cc2nc(-c3cccc(Cl)c3)oc2C)c(=O)c1CCO.
What is the InChIKey of 3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one?
The InChIKey is UMBDBSHQFKKEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3/c1-15-20(11-12-29)24(30)28(22(26-15)17-7-4-3-5-8-17)14-21-16(2)31-23(27-21)18-9-6-10-19(25)13-18/h3-10,13,29H,11-12,14H2,1-2H3.
What are the key properties of 3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one?
3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one has a molecular weight of 435.91 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one is sourced from PubChem (CID 91911995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).