ethyl 2-[bis(thiophen-2-ylmethyl)amino]-1,3-oxazole-4-carboxylate

C16H16N2O3S2 — CID 167466268

IUPACethyl 2-[bis(thiophen-2-ylmethyl)amino]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N(Cc2cccs2)Cc2cccs2)n1
InChIInChI=1S/C16H16N2O3S2/c1-2-20-15(19)14-11-21-16(17-14)18(9-12-5-3-7-22-12)10-13-6-4-8-23-13/h3-8,11H,2,9-10H2,1H3
InChIKeyUBXYTQJSVWDKNE-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.18
Rot. Bonds7

About ethyl 2-[bis(thiophen-2-ylmethyl)amino]-1,3-oxazole-4-carboxylate

ethyl 2-[bis(thiophen-2-ylmethyl)amino]-1,3-oxazole-4-carboxylate (PubChem CID 167466268) has the molecular formula C16H16N2O3S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is ethyl 2-[bis(thiophen-2-ylmethyl)amino]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[bis(thiophen-2-ylmethyl)amino]-1,3-oxazole-4-carboxylate
PubChem CID167466268
Molecular FormulaC16H16N2O3S2
Molecular Weight348.45 g/mol
Exact Mass348.06
IUPAC Nameethyl 2-[bis(thiophen-2-ylmethyl)amino]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N(Cc2cccs2)Cc2cccs2)n1
InChIInChI=1S/C16H16N2O3S2/c1-2-20-15(19)14-11-21-16(17-14)18(9-12-5-3-7-22-12)10-13-6-4-8-23-13/h3-8,11H,2,9-10H2,1H3
InChIKeyUBXYTQJSVWDKNE-UHFFFAOYSA-N
XLogP4.18
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[ethyl(2-ethylbutyl)amino]-1,3-oxazole-4-carboxylate
CID 113377169
ethyl 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-oxazole-4-carboxylate
CID 113377294
ethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate
CID 80568405
ethyl 2-[2-methoxyethyl(2-methylpropyl)amino]-1,3-oxazole-4-carboxylate
CID 113377205
ethyl 2-[bis(thiophen-2-ylmethyl)amino]-2-oxoacetate
CID 166273196
2-[ethyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568359
ethyl 2-methylsulfonyl-1,3-oxazole-4-carboxylate
CID 151928550
ethyl 6-chloro-2-(thiophen-2-ylmethylamino)pyridine-3-carboxylate
CID 168991232
ethyl 1-methyl-5-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyrazole-4-carboxylate
CID 116631787
ethyl 2-[propyl(thiophen-2-ylmethyl)amino]acetate
CID 62027701
ethyl N-phenyl-N-(thiophen-2-ylmethyl)carbamate
CID 91149975
ethyl 2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate
CID 171366901

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[bis(thiophen-2-ylmethyl)amino]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[bis(thiophen-2-ylmethyl)amino]-1,3-oxazole-4-carboxylate (CID 167466268) is ethyl 2-[bis(thiophen-2-ylmethyl)amino]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[bis(thiophen-2-ylmethyl)amino]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[bis(thiophen-2-ylmethyl)amino]-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(N(Cc2cccs2)Cc2cccs2)n1.
What is the InChIKey of ethyl 2-[bis(thiophen-2-ylmethyl)amino]-1,3-oxazole-4-carboxylate?
The InChIKey is UBXYTQJSVWDKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S2/c1-2-20-15(19)14-11-21-16(17-14)18(9-12-5-3-7-22-12)10-13-6-4-8-23-13/h3-8,11H,2,9-10H2,1H3.
What are the key properties of ethyl 2-[bis(thiophen-2-ylmethyl)amino]-1,3-oxazole-4-carboxylate?
ethyl 2-[bis(thiophen-2-ylmethyl)amino]-1,3-oxazole-4-carboxylate has a molecular weight of 348.45 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[bis(thiophen-2-ylmethyl)amino]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 167466268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).