ethyl 4-[3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-2-oxopropyl]piperidine-1-carboxylate

C23H30N2O7S — CID 158782326

IUPACethyl 4-[3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-2-oxopropyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(CC(=O)CS(=O)(=O)Cc2nc(-c3ccc(OC)cc3)oc2C)CC1
InChIInChI=1S/C23H30N2O7S/c1-4-31-23(27)25-11-9-17(10-12-25)13-19(26)14-33(28,29)15-21-16(2)32-22(24-21)18-5-7-20(30-3)8-6-18/h5-8,17H,4,9-15H2,1-3H3
InChIKeyIRFTYNWHQSAQRP-UHFFFAOYSA-N
MW478.57 g/mol
LogP3.40
Rot. Bonds9

About ethyl 4-[3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-2-oxopropyl]piperidine-1-carboxylate

ethyl 4-[3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-2-oxopropyl]piperidine-1-carboxylate (PubChem CID 158782326) has the molecular formula C23H30N2O7S and a molecular weight of 478.57 g/mol. Its IUPAC name is ethyl 4-[3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-2-oxopropyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-2-oxopropyl]piperidine-1-carboxylate
PubChem CID158782326
Molecular FormulaC23H30N2O7S
Molecular Weight478.57 g/mol
Exact Mass478.18
IUPAC Nameethyl 4-[3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-2-oxopropyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(CC(=O)CS(=O)(=O)Cc2nc(-c3ccc(OC)cc3)oc2C)CC1
InChIInChI=1S/C23H30N2O7S/c1-4-31-23(27)25-11-9-17(10-12-25)13-19(26)14-33(28,29)15-21-16(2)32-22(24-21)18-5-7-20(30-3)8-6-18/h5-8,17H,4,9-15H2,1-3H3
InChIKeyIRFTYNWHQSAQRP-UHFFFAOYSA-N
XLogP3.40
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-2-oxopropyl]piperidine-1-carboxylate with MolForge

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Related Compounds

1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-3-(4-methylcyclohexyl)propan-2-one
CID 158200964
1-cyclopentyl-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]propan-2-one
CID 149211334
N-cycloheptyl-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide
CID 20860697
5,5-dimethoxy-1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]pentan-2-one
CID 158354315
2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(oxolan-2-ylmethyl)acetamide
CID 20860705
ethyl 4-[[2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetyl]amino]piperidine-1-carboxylate
CID 24789561
2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 20860703
2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-1-pyrrolidin-1-ylethanone
CID 6619442
5-(4-ethylpiperazin-1-yl)-1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]pentan-2-one
CID 158904059
2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-1-(4-propylpiperazin-1-yl)ethanone
CID 20860779
ethyl 4-[[2-(4-methoxycarbonylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxylate
CID 28872252
[1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51426678

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-2-oxopropyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-2-oxopropyl]piperidine-1-carboxylate (CID 158782326) is ethyl 4-[3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-2-oxopropyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-2-oxopropyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-2-oxopropyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(CC(=O)CS(=O)(=O)Cc2nc(-c3ccc(OC)cc3)oc2C)CC1.
What is the InChIKey of ethyl 4-[3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-2-oxopropyl]piperidine-1-carboxylate?
The InChIKey is IRFTYNWHQSAQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O7S/c1-4-31-23(27)25-11-9-17(10-12-25)13-19(26)14-33(28,29)15-21-16(2)32-22(24-21)18-5-7-20(30-3)8-6-18/h5-8,17H,4,9-15H2,1-3H3.
What are the key properties of ethyl 4-[3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-2-oxopropyl]piperidine-1-carboxylate?
ethyl 4-[3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-2-oxopropyl]piperidine-1-carboxylate has a molecular weight of 478.57 g/mol, XLogP of 3.40, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-2-oxopropyl]piperidine-1-carboxylate is sourced from PubChem (CID 158782326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).