3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-2-carboxylic acid

C11H10N2O5S — CID 66156920

IUPAC3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-2-carboxylic acid
SMILESCOCc1cc(C(=O)Nc2ccsc2C(=O)O)no1
InChIInChI=1S/C11H10N2O5S/c1-17-5-6-4-8(13-18-6)10(14)12-7-2-3-19-9(7)11(15)16/h2-4H,5H2,1H3,(H,12,14)(H,15,16)
InChIKeyOWHTZAKNHZDCAO-UHFFFAOYSA-N
MW282.28 g/mol
LogP1.83
Rot. Bonds5

About 3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-2-carboxylic acid

3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-2-carboxylic acid (PubChem CID 66156920) has the molecular formula C11H10N2O5S and a molecular weight of 282.28 g/mol. Its IUPAC name is 3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-2-carboxylic acid
PubChem CID66156920
Molecular FormulaC11H10N2O5S
Molecular Weight282.28 g/mol
Exact Mass282.03
IUPAC Name3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-2-carboxylic acid
SMILESCOCc1cc(C(=O)Nc2ccsc2C(=O)O)no1
InChIInChI=1S/C11H10N2O5S/c1-17-5-6-4-8(13-18-6)10(14)12-7-2-3-19-9(7)11(15)16/h2-4H,5H2,1H3,(H,12,14)(H,15,16)
InChIKeyOWHTZAKNHZDCAO-UHFFFAOYSA-N
XLogP1.83
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-3-carboxylic acid
CID 66156725
N-(4-bromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66158532
N-[2-(ethylaminomethyl)phenyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66156185
3-chloro-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]benzoic acid
CID 107047018
methyl 5-(methoxymethyl)-1,2-oxazole-3-carboxylate
CID 13371025
2-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]phenyl]acetic acid
CID 66155943
3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 66158499
5-(methoxymethyl)-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide
CID 66157733
3-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylic acid
CID 16774257
5-(methoxymethyl)-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide
CID 66157357
methyl 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoate
CID 66156389
N-(3-bromo-2,2-dimethylpropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 115364910

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-2-carboxylic acid?
The IUPAC name of 3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-2-carboxylic acid (CID 66156920) is 3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-2-carboxylic acid is COCc1cc(C(=O)Nc2ccsc2C(=O)O)no1.
What is the InChIKey of 3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-2-carboxylic acid?
The InChIKey is OWHTZAKNHZDCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5S/c1-17-5-6-4-8(13-18-6)10(14)12-7-2-3-19-9(7)11(15)16/h2-4H,5H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-2-carboxylic acid?
3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-2-carboxylic acid has a molecular weight of 282.28 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 66156920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).