methyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate

C9H7NO3S — CID 1256578

IUPACmethyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C9H7NO3S/c1-12-9(11)6-5-7(13-10-6)8-3-2-4-14-8/h2-5H,1H3
InChIKeyHNUBQXDECCWAJW-UHFFFAOYSA-N
MW209.23 g/mol
LogP2.19
Rot. Bonds2

About methyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate

methyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate (PubChem CID 1256578) has the molecular formula C9H7NO3S and a molecular weight of 209.23 g/mol. Its IUPAC name is methyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate
PubChem CID1256578
Molecular FormulaC9H7NO3S
Molecular Weight209.23 g/mol
Exact Mass209.01
IUPAC Namemethyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C9H7NO3S/c1-12-9(11)6-5-7(13-10-6)8-3-2-4-14-8/h2-5H,1H3
InChIKeyHNUBQXDECCWAJW-UHFFFAOYSA-N
XLogP2.19
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(Thiophen-2-yl)-1,2-oxazol-3-yl]methanol
CID 2776547
5-(5-Chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid
CID 16786068
Ethyl 5-(thiophen-2-yl)-1,2-oxazole-3-carboxylate
CID 2745138
5-(Thiophen-2-yl)-1,2-oxazole-3-carboxylic acid
CID 3157098
[2-(5-Bromothiophen-2-yl)-2-oxoethyl] 5-methyl-1,2-oxazole-3-carboxylate
CID 2572725
ethyl 5-[(E)-2-(3-thienyl)vinyl]isoxazole-3-carboxylate
CID 15266755
5-Thiophen-2-yl-isoxazole-3-carbaldehyde
CID 2776546
5-(Thiophen-2-yl)-1,2-oxazole-3-carboxamide
CID 24859007
5-(Thiophen-3-yl)-1,2-oxazole-3-carboxylic acid
CID 49949595
5-(3-Thienyl)isoxazole-3-carbaldehyde
CID 57815525
(5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,6-difluorobenzoate
CID 8649760
[5-(Thiophen-2-yl)-1,2-oxazol-3-yl]methyl 3-fluorobenzoate
CID 16870177

Frequently Asked Questions

What is the IUPAC name of methyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate?
The IUPAC name of methyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate (CID 1256578) is methyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate.
What is the SMILES notation for methyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate?
The canonical SMILES for methyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate is COC(=O)c1cc(-c2cccs2)on1.
What is the InChIKey of methyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate?
The InChIKey is HNUBQXDECCWAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3S/c1-12-9(11)6-5-7(13-10-6)8-3-2-4-14-8/h2-5H,1H3.
What are the key properties of methyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate?
methyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate has a molecular weight of 209.23 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 1256578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).