[3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-ethylsulfonylimidazol-4-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate

C22H28ClN5O5S2 — CID 69112254

IUPAC[3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-ethylsulfonylimidazol-4-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate
SMILESCCS(=O)(=O)c1ncc(OC(=O)NC2CCN(C(C)C)CC2)n1Cc1cc(-c2ccc(Cl)s2)on1
InChIInChI=1S/C22H28ClN5O5S2/c1-4-35(30,31)21-24-12-20(32-22(29)25-15-7-9-27(10-8-15)14(2)3)28(21)13-16-11-17(33-26-16)18-5-6-19(23)34-18/h5-6,11-12,14-15H,4,7-10,13H2,1-3H3,(H,25,29)
InChIKeyCVFVEJYINDZHQT-UHFFFAOYSA-N
MW542.08 g/mol
LogP4.06
Rot. Bonds8

About [3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-ethylsulfonylimidazol-4-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate

[3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-ethylsulfonylimidazol-4-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate (PubChem CID 69112254) has the molecular formula C22H28ClN5O5S2 and a molecular weight of 542.08 g/mol. Its IUPAC name is [3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-ethylsulfonylimidazol-4-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Name[3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-ethylsulfonylimidazol-4-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate
PubChem CID69112254
Molecular FormulaC22H28ClN5O5S2
Molecular Weight542.08 g/mol
Exact Mass541.12
IUPAC Name[3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-ethylsulfonylimidazol-4-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate
SMILESCCS(=O)(=O)c1ncc(OC(=O)NC2CCN(C(C)C)CC2)n1Cc1cc(-c2ccc(Cl)s2)on1
InChIInChI=1S/C22H28ClN5O5S2/c1-4-35(30,31)21-24-12-20(32-22(29)25-15-7-9-27(10-8-15)14(2)3)28(21)13-16-11-17(33-26-16)18-5-6-19(23)34-18/h5-6,11-12,14-15H,4,7-10,13H2,1-3H3,(H,25,29)
InChIKeyCVFVEJYINDZHQT-UHFFFAOYSA-N
XLogP4.06
TPSA119.56 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.08
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze [3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-ethylsulfonylimidazol-4-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylindol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate
CID 90309447
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-(2-methoxyethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine-2-carboxamide;hydrochloride
CID 86595864
3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-(2,6-dichlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide
CID 10370978
[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-(3-hydroxyazetidine-1-carbonyl)pyrazol-3-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate
CID 68808581
[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-thiophen-2-ylpyrazol-3-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate
CID 68809191
[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4-cyano-3-propylpyrazol-5-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate
CID 68809019
methyl 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indole-5-sulfonate
CID 11455950
[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrazol-5-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate
CID 68809339
2-[[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]pyrazole-5-carbonyl]amino]ethyl hydrogen sulfate
CID 10483738
3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-2-pyridin-3-ylimidazole-4-carboxamide
CID 10097872
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indole-4-carboxylic acid;hydrochloride
CID 68856569
[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-(morpholine-4-carbonyl)pyrazol-3-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate
CID 68807882

Frequently Asked Questions

What is the IUPAC name of [3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-ethylsulfonylimidazol-4-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate?
The IUPAC name of [3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-ethylsulfonylimidazol-4-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate (CID 69112254) is [3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-ethylsulfonylimidazol-4-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate.
What is the SMILES notation for [3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-ethylsulfonylimidazol-4-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate?
The canonical SMILES for [3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-ethylsulfonylimidazol-4-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate is CCS(=O)(=O)c1ncc(OC(=O)NC2CCN(C(C)C)CC2)n1Cc1cc(-c2ccc(Cl)s2)on1.
What is the InChIKey of [3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-ethylsulfonylimidazol-4-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate?
The InChIKey is CVFVEJYINDZHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN5O5S2/c1-4-35(30,31)21-24-12-20(32-22(29)25-15-7-9-27(10-8-15)14(2)3)28(21)13-16-11-17(33-26-16)18-5-6-19(23)34-18/h5-6,11-12,14-15H,4,7-10,13H2,1-3H3,(H,25,29).
What are the key properties of [3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-ethylsulfonylimidazol-4-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate?
[3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-ethylsulfonylimidazol-4-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate has a molecular weight of 542.08 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-ethylsulfonylimidazol-4-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate is sourced from PubChem (CID 69112254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).