[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1,3-benzoxazole-4-carboxylate

C15H12N2O4S — CID 23943725

IUPAC[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1,3-benzoxazole-4-carboxylate
SMILESO=C(COC(=O)c1cccc2ocnc12)NCc1cccs1
InChIInChI=1S/C15H12N2O4S/c18-13(16-7-10-3-2-6-22-10)8-20-15(19)11-4-1-5-12-14(11)17-9-21-12/h1-6,9H,7-8H2,(H,16,18)
InChIKeyQDLVKMSEQJUTIK-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.36
Rot. Bonds5

About [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1,3-benzoxazole-4-carboxylate

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1,3-benzoxazole-4-carboxylate (PubChem CID 23943725) has the molecular formula C15H12N2O4S and a molecular weight of 316.34 g/mol. Its IUPAC name is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1,3-benzoxazole-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1,3-benzoxazole-4-carboxylate
PubChem CID23943725
Molecular FormulaC15H12N2O4S
Molecular Weight316.34 g/mol
Exact Mass316.05
IUPAC Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1,3-benzoxazole-4-carboxylate
SMILESO=C(COC(=O)c1cccc2ocnc12)NCc1cccs1
InChIInChI=1S/C15H12N2O4S/c18-13(16-7-10-3-2-6-22-10)8-20-15(19)11-4-1-5-12-14(11)17-9-21-12/h1-6,9H,7-8H2,(H,16,18)
InChIKeyQDLVKMSEQJUTIK-UHFFFAOYSA-N
XLogP2.36
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1,3-benzoxazole-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

Related Compounds

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-1-carboxylate
CID 2364071
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,6-dichlorobenzoate
CID 2364548
[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 2,3-dichlorobenzoate
CID 27213023
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-chloro-4,5-difluorobenzoate
CID 2364701
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1H-indole-3-carboxylate
CID 7492917
bis[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (E)-but-2-enedioate
CID 35700522
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] naphthalene-1-carboxylate
CID 8936148
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-bromo-4-fluorobenzoate
CID 8837401
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-amino-3,5-dichlorobenzoate
CID 2620415
[2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 1,3-benzoxazole-4-carboxylate
CID 23773560
[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 2-hydroxy-3-methoxybenzoate
CID 39599777
methyl 2-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]benzoate
CID 7894213

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1,3-benzoxazole-4-carboxylate?
The IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1,3-benzoxazole-4-carboxylate (CID 23943725) is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1,3-benzoxazole-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1,3-benzoxazole-4-carboxylate?
The canonical SMILES for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1,3-benzoxazole-4-carboxylate is O=C(COC(=O)c1cccc2ocnc12)NCc1cccs1.
What is the InChIKey of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1,3-benzoxazole-4-carboxylate?
The InChIKey is QDLVKMSEQJUTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4S/c18-13(16-7-10-3-2-6-22-10)8-20-15(19)11-4-1-5-12-14(11)17-9-21-12/h1-6,9H,7-8H2,(H,16,18).
What are the key properties of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1,3-benzoxazole-4-carboxylate?
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1,3-benzoxazole-4-carboxylate has a molecular weight of 316.34 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1,3-benzoxazole-4-carboxylate is sourced from PubChem (CID 23943725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).