(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate

C15H14N2O4S2 — CID 27547861

IUPAC(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
SMILESCc1csc(=O)n1CCC(=O)OCc1coc(-c2cccs2)n1
InChIInChI=1S/C15H14N2O4S2/c1-10-9-23-15(19)17(10)5-4-13(18)20-7-11-8-21-14(16-11)12-3-2-6-22-12/h2-3,6,8-9H,4-5,7H2,1H3
InChIKeyOHCDRWKBFMCQJH-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.07
Rot. Bonds6

About (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate

(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate (PubChem CID 27547861) has the molecular formula C15H14N2O4S2 and a molecular weight of 350.42 g/mol. Its IUPAC name is (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate.

Molecular Properties

Compound Name(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
PubChem CID27547861
Molecular FormulaC15H14N2O4S2
Molecular Weight350.42 g/mol
Exact Mass350.04
IUPAC Name(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
SMILESCc1csc(=O)n1CCC(=O)OCc1coc(-c2cccs2)n1
InChIInChI=1S/C15H14N2O4S2/c1-10-9-23-15(19)17(10)5-4-13(18)20-7-11-8-21-14(16-11)12-3-2-6-22-12/h2-3,6,8-9H,4-5,7H2,1H3
InChIKeyOHCDRWKBFMCQJH-UHFFFAOYSA-N
XLogP3.07
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The IUPAC name of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate (CID 27547861) is (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate.
What is the SMILES notation for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The canonical SMILES for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate is Cc1csc(=O)n1CCC(=O)OCc1coc(-c2cccs2)n1.
What is the InChIKey of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The InChIKey is OHCDRWKBFMCQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S2/c1-10-9-23-15(19)17(10)5-4-13(18)20-7-11-8-21-14(16-11)12-3-2-6-22-12/h2-3,6,8-9H,4-5,7H2,1H3.
What are the key properties of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate has a molecular weight of 350.42 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate is sourced from PubChem (CID 27547861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).