(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-chlorothiophene-2-carboxylate

C13H8ClNO3S2 — CID 7146562

IUPAC(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-chlorothiophene-2-carboxylate
SMILESO=C(OCc1coc(-c2cccs2)n1)c1ccc(Cl)s1
InChIInChI=1S/C13H8ClNO3S2/c14-11-4-3-10(20-11)13(16)18-7-8-6-17-12(15-8)9-2-1-5-19-9/h1-6H,7H2
InChIKeyVQVMLMHVWHQLCZ-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.47
Rot. Bonds4

About (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-chlorothiophene-2-carboxylate

(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-chlorothiophene-2-carboxylate (PubChem CID 7146562) has the molecular formula C13H8ClNO3S2 and a molecular weight of 325.80 g/mol. Its IUPAC name is (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-chlorothiophene-2-carboxylate.

Molecular Properties

Compound Name(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-chlorothiophene-2-carboxylate
PubChem CID7146562
Molecular FormulaC13H8ClNO3S2
Molecular Weight325.80 g/mol
Exact Mass324.96
IUPAC Name(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-chlorothiophene-2-carboxylate
SMILESO=C(OCc1coc(-c2cccs2)n1)c1ccc(Cl)s1
InChIInChI=1S/C13H8ClNO3S2/c14-11-4-3-10(20-11)13(16)18-7-8-6-17-12(15-8)9-2-1-5-19-9/h1-6H,7H2
InChIKeyVQVMLMHVWHQLCZ-UHFFFAOYSA-N
XLogP4.47
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate
CID 8631208
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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 3-chloro-4,5-dimethoxybenzoate
CID 7681088
(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-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8618160
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate
CID 7720920
4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole
CID 2529531
(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 6-pyrazol-1-ylpyridine-3-carboxylate
CID 18166865
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate
CID 18279947

Frequently Asked Questions

What is the IUPAC name of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-chlorothiophene-2-carboxylate?
The IUPAC name of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-chlorothiophene-2-carboxylate (CID 7146562) is (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-chlorothiophene-2-carboxylate.
What is the SMILES notation for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-chlorothiophene-2-carboxylate?
The canonical SMILES for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-chlorothiophene-2-carboxylate is O=C(OCc1coc(-c2cccs2)n1)c1ccc(Cl)s1.
What is the InChIKey of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-chlorothiophene-2-carboxylate?
The InChIKey is VQVMLMHVWHQLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO3S2/c14-11-4-3-10(20-11)13(16)18-7-8-6-17-12(15-8)9-2-1-5-19-9/h1-6H,7H2.
What are the key properties of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-chlorothiophene-2-carboxylate?
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-chlorothiophene-2-carboxylate has a molecular weight of 325.80 g/mol, XLogP of 4.47, 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 5-chlorothiophene-2-carboxylate is sourced from PubChem (CID 7146562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).