(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate

C13H9NO3S2 — CID 8631208

IUPAC(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate
SMILESO=C(OCc1coc(-c2cccs2)n1)c1cccs1
InChIInChI=1S/C13H9NO3S2/c15-13(11-4-2-6-19-11)17-8-9-7-16-12(14-9)10-3-1-5-18-10/h1-7H,8H2
InChIKeyCAGHDUUMTSBESG-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.82
Rot. Bonds4

About (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate

(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate (PubChem CID 8631208) has the molecular formula C13H9NO3S2 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate.

Molecular Properties

Compound Name(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate
PubChem CID8631208
Molecular FormulaC13H9NO3S2
Molecular Weight291.35 g/mol
Exact Mass291.00
IUPAC Name(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate
SMILESO=C(OCc1coc(-c2cccs2)n1)c1cccs1
InChIInChI=1S/C13H9NO3S2/c15-13(11-4-2-6-19-11)17-8-9-7-16-12(14-9)10-3-1-5-18-10/h1-7H,8H2
InChIKeyCAGHDUUMTSBESG-UHFFFAOYSA-N
XLogP3.82
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-chlorothiophene-2-carboxylate
CID 7146562
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-formylbenzoate
CID 7669328
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-bromo-1H-pyrrole-2-carboxylate
CID 9292901
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1H-indazole-3-carboxylate
CID 7372530
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-amino-5-iodobenzoate
CID 18169724
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate
CID 7720920
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-naphthalen-1-ylacetate
CID 7782747
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8618160
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-ethoxy-2,2-diphenylacetate
CID 7683796
2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzamide
CID 7642230
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate
CID 7681088
4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole
CID 2529531

Frequently Asked Questions

What is the IUPAC name of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate?
The IUPAC name of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate (CID 8631208) is (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate.
What is the SMILES notation for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate?
The canonical SMILES for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate is O=C(OCc1coc(-c2cccs2)n1)c1cccs1.
What is the InChIKey of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate?
The InChIKey is CAGHDUUMTSBESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3S2/c15-13(11-4-2-6-19-11)17-8-9-7-16-12(14-9)10-3-1-5-18-10/h1-7H,8H2.
What are the key properties of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate?
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate is sourced from PubChem (CID 8631208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).