1-(3-methoxyphenyl)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperazin-2-one

C20H21N3O3S — CID 29253890

IUPAC1-(3-methoxyphenyl)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperazin-2-one
SMILESCOc1cccc(N2CCN(Cc3nc(-c4ccsc4)oc3C)CC2=O)c1
InChIInChI=1S/C20H21N3O3S/c1-14-18(21-20(26-14)15-6-9-27-13-15)11-22-7-8-23(19(24)12-22)16-4-3-5-17(10-16)25-2/h3-6,9-10,13H,7-8,11-12H2,1-2H3
InChIKeyUJGYAWMBEWFEPZ-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.57
Rot. Bonds5

About 1-(3-methoxyphenyl)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperazin-2-one

1-(3-methoxyphenyl)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperazin-2-one (PubChem CID 29253890) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperazin-2-one
PubChem CID29253890
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name1-(3-methoxyphenyl)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperazin-2-one
SMILESCOc1cccc(N2CCN(Cc3nc(-c4ccsc4)oc3C)CC2=O)c1
InChIInChI=1S/C20H21N3O3S/c1-14-18(21-20(26-14)15-6-9-27-13-15)11-22-7-8-23(19(24)12-22)16-4-3-5-17(10-16)25-2/h3-6,9-10,13H,7-8,11-12H2,1-2H3
InChIKeyUJGYAWMBEWFEPZ-UHFFFAOYSA-N
XLogP3.57
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(3-methoxyphenyl)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperazin-2-one with MolForge

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Related Compounds

1-[(3-methylphenyl)methyl]-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperazin-2-one
CID 25458230
1-[(3-methoxyphenyl)methyl]-4-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-2-one
CID 25375095
4-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-2-one
CID 29026134
5-methyl-4-[[3-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole
CID 45202868
4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-2-one
CID 25374674
4-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)-5-methyl-2-thiophen-3-yl-1,3-oxazole
CID 86796826
1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-4-ol
CID 110923157
1-cyclohexyl-4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one
CID 42455514
(3-methoxyphenyl)-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methanone
CID 35230871
2-(3-chlorophenyl)-4-[[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 53084976
1-cyclopentyl-4-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one
CID 42345695
4-(2-hydroxybutyl)-1-(3-methoxyphenyl)piperazin-2-one
CID 70737370

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperazin-2-one?
The IUPAC name of 1-(3-methoxyphenyl)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperazin-2-one (CID 29253890) is 1-(3-methoxyphenyl)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperazin-2-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperazin-2-one?
The canonical SMILES for 1-(3-methoxyphenyl)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperazin-2-one is COc1cccc(N2CCN(Cc3nc(-c4ccsc4)oc3C)CC2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperazin-2-one?
The InChIKey is UJGYAWMBEWFEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-14-18(21-20(26-14)15-6-9-27-13-15)11-22-7-8-23(19(24)12-22)16-4-3-5-17(10-16)25-2/h3-6,9-10,13H,7-8,11-12H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperazin-2-one?
1-(3-methoxyphenyl)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperazin-2-one has a molecular weight of 383.47 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperazin-2-one is sourced from PubChem (CID 29253890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).