3-[(3-ethylthiophen-2-yl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid

C12H12N2O4S — CID 107369810

IUPAC3-[(3-ethylthiophen-2-yl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCCc1ccsc1CNC(=O)c1cc(C(=O)O)on1
InChIInChI=1S/C12H12N2O4S/c1-2-7-3-4-19-10(7)6-13-11(15)8-5-9(12(16)17)18-14-8/h3-5H,2,6H2,1H3,(H,13,15)(H,16,17)
InChIKeyYMFMFUBWZIZDSL-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.93
Rot. Bonds5

About 3-[(3-ethylthiophen-2-yl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid

3-[(3-ethylthiophen-2-yl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 107369810) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is 3-[(3-ethylthiophen-2-yl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(3-ethylthiophen-2-yl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid
PubChem CID107369810
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC Name3-[(3-ethylthiophen-2-yl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCCc1ccsc1CNC(=O)c1cc(C(=O)O)on1
InChIInChI=1S/C12H12N2O4S/c1-2-7-3-4-19-10(7)6-13-11(15)8-5-9(12(16)17)18-14-8/h3-5H,2,6H2,1H3,(H,13,15)(H,16,17)
InChIKeyYMFMFUBWZIZDSL-UHFFFAOYSA-N
XLogP1.93
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 47163642
3-[(3-methyl-4-pyridinyl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107370049
2-chloro-N-[(3-ethylthiophen-2-yl)methyl]furan-3-carboxamide
CID 106687031
4-(bromomethyl)-N-[(3-ethylthiophen-2-yl)methyl]benzamide
CID 102851859
3-(2-acetamidoethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369222
3-[(4-ethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369156
1-ethyl-3-[(3-ethylthiophen-2-yl)methyl]urea
CID 115686537
N-[(3-ethylthiophen-2-yl)methyl]-3-sulfanylbenzamide
CID 107032569
3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107642755
3-(3,3-dimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107370011
propan-2-yl N-[(3-ethylthiophen-2-yl)methyl]carbamate
CID 116656798
3-[(3-ethylthiophen-2-yl)methylamino]-2,2-dimethyl-3-oxopropanoic acid
CID 82820650

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethylthiophen-2-yl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[(3-ethylthiophen-2-yl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid (CID 107369810) is 3-[(3-ethylthiophen-2-yl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[(3-ethylthiophen-2-yl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[(3-ethylthiophen-2-yl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid is CCc1ccsc1CNC(=O)c1cc(C(=O)O)on1.
What is the InChIKey of 3-[(3-ethylthiophen-2-yl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is YMFMFUBWZIZDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-2-7-3-4-19-10(7)6-13-11(15)8-5-9(12(16)17)18-14-8/h3-5H,2,6H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 3-[(3-ethylthiophen-2-yl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid?
3-[(3-ethylthiophen-2-yl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 280.31 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethylthiophen-2-yl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).