ethyl 1-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate

C15H18N2O5S2 — CID 18525662

IUPACethyl 1-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccno3)s2)CC1
InChIInChI=1S/C15H18N2O5S2/c1-2-21-15(18)11-6-9-17(10-7-11)24(19,20)14-4-3-13(23-14)12-5-8-16-22-12/h3-5,8,11H,2,6-7,9-10H2,1H3
InChIKeyPHJXQOPJNXJNMW-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.37
Rot. Bonds5

About ethyl 1-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate

ethyl 1-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate (PubChem CID 18525662) has the molecular formula C15H18N2O5S2 and a molecular weight of 370.45 g/mol. Its IUPAC name is ethyl 1-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate
PubChem CID18525662
Molecular FormulaC15H18N2O5S2
Molecular Weight370.45 g/mol
Exact Mass370.07
IUPAC Nameethyl 1-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccno3)s2)CC1
InChIInChI=1S/C15H18N2O5S2/c1-2-21-15(18)11-6-9-17(10-7-11)24(19,20)14-4-3-13(23-14)12-5-8-16-22-12/h3-5,8,11H,2,6-7,9-10H2,1H3
InChIKeyPHJXQOPJNXJNMW-UHFFFAOYSA-N
XLogP2.37
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate (CID 18525662) is ethyl 1-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate is CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccno3)s2)CC1.
What is the InChIKey of ethyl 1-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate?
The InChIKey is PHJXQOPJNXJNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S2/c1-2-21-15(18)11-6-9-17(10-7-11)24(19,20)14-4-3-13(23-14)12-5-8-16-22-12/h3-5,8,11H,2,6-7,9-10H2,1H3.
What are the key properties of ethyl 1-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate?
ethyl 1-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate has a molecular weight of 370.45 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 18525662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).