2-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoylamino]thiophene-3-carboxylic acid

C11H11N3O4S — CID 55176740

IUPAC2-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoylamino]thiophene-3-carboxylic acid
SMILESCc1cc(CNC(=O)Nc2sccc2C(=O)O)on1
InChIInChI=1S/C11H11N3O4S/c1-6-4-7(18-14-6)5-12-11(17)13-9-8(10(15)16)2-3-19-9/h2-4H,5H2,1H3,(H,15,16)(H2,12,13,17)
InChIKeyLRBSJMCJADYBOO-UHFFFAOYSA-N
MW281.29 g/mol
LogP2.06
Rot. Bonds4

About 2-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoylamino]thiophene-3-carboxylic acid

2-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoylamino]thiophene-3-carboxylic acid (PubChem CID 55176740) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is 2-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoylamino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoylamino]thiophene-3-carboxylic acid
PubChem CID55176740
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC Name2-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoylamino]thiophene-3-carboxylic acid
SMILESCc1cc(CNC(=O)Nc2sccc2C(=O)O)on1
InChIInChI=1S/C11H11N3O4S/c1-6-4-7(18-14-6)5-12-11(17)13-9-8(10(15)16)2-3-19-9/h2-4H,5H2,1H3,(H,15,16)(H2,12,13,17)
InChIKeyLRBSJMCJADYBOO-UHFFFAOYSA-N
XLogP2.06
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoylamino]benzoic acid
CID 62949243
2-[(2-methylpyrimidin-4-yl)methylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114434
1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 53017221
1-ethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 53017228
2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-3-carboxylic acid
CID 66156725
2-[(4-cyanophenyl)methylcarbamoylamino]thiophene-3-carboxylic acid
CID 63113857
methyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 115598489
1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 167934119
2-[3-(methanesulfonamido)propylcarbamoylamino]thiophene-3-carboxylic acid
CID 106340230
ethyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 62189875
2-[[(E)-pent-3-enyl]carbamoylamino]thiophene-3-carboxylic acid
CID 113465789
2-[3-(dimethylamino)propylcarbamoylamino]thiophene-3-carboxylic acid
CID 15829702

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoylamino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoylamino]thiophene-3-carboxylic acid (CID 55176740) is 2-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoylamino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoylamino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoylamino]thiophene-3-carboxylic acid is Cc1cc(CNC(=O)Nc2sccc2C(=O)O)on1.
What is the InChIKey of 2-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoylamino]thiophene-3-carboxylic acid?
The InChIKey is LRBSJMCJADYBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c1-6-4-7(18-14-6)5-12-11(17)13-9-8(10(15)16)2-3-19-9/h2-4H,5H2,1H3,(H,15,16)(H2,12,13,17).
What are the key properties of 2-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoylamino]thiophene-3-carboxylic acid?
2-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoylamino]thiophene-3-carboxylic acid has a molecular weight of 281.29 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoylamino]thiophene-3-carboxylic acid is sourced from PubChem (CID 55176740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).