4,5-dimethyl-2-(1,2-oxazol-3-ylcarbamoylamino)thiophene-3-carboxylic acid

C11H11N3O4S — CID 63114615

IUPAC4,5-dimethyl-2-(1,2-oxazol-3-ylcarbamoylamino)thiophene-3-carboxylic acid
SMILESCc1sc(NC(=O)Nc2ccon2)c(C(=O)O)c1C
InChIInChI=1S/C11H11N3O4S/c1-5-6(2)19-9(8(5)10(15)16)13-11(17)12-7-3-4-18-14-7/h3-4H,1-2H3,(H,15,16)(H2,12,13,14,17)
InChIKeyRVUNIYTYCIVNGG-UHFFFAOYSA-N
MW281.29 g/mol
LogP2.70
Rot. Bonds3

About 4,5-dimethyl-2-(1,2-oxazol-3-ylcarbamoylamino)thiophene-3-carboxylic acid

4,5-dimethyl-2-(1,2-oxazol-3-ylcarbamoylamino)thiophene-3-carboxylic acid (PubChem CID 63114615) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is 4,5-dimethyl-2-(1,2-oxazol-3-ylcarbamoylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4,5-dimethyl-2-(1,2-oxazol-3-ylcarbamoylamino)thiophene-3-carboxylic acid
PubChem CID63114615
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC Name4,5-dimethyl-2-(1,2-oxazol-3-ylcarbamoylamino)thiophene-3-carboxylic acid
SMILESCc1sc(NC(=O)Nc2ccon2)c(C(=O)O)c1C
InChIInChI=1S/C11H11N3O4S/c1-5-6(2)19-9(8(5)10(15)16)13-11(17)12-7-3-4-18-14-7/h3-4H,1-2H3,(H,15,16)(H2,12,13,14,17)
InChIKeyRVUNIYTYCIVNGG-UHFFFAOYSA-N
XLogP2.70
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(1,2-oxazol-3-ylcarbamoylamino)thiophene-3-carboxylic acid?
The IUPAC name of 4,5-dimethyl-2-(1,2-oxazol-3-ylcarbamoylamino)thiophene-3-carboxylic acid (CID 63114615) is 4,5-dimethyl-2-(1,2-oxazol-3-ylcarbamoylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 4,5-dimethyl-2-(1,2-oxazol-3-ylcarbamoylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 4,5-dimethyl-2-(1,2-oxazol-3-ylcarbamoylamino)thiophene-3-carboxylic acid is Cc1sc(NC(=O)Nc2ccon2)c(C(=O)O)c1C.
What is the InChIKey of 4,5-dimethyl-2-(1,2-oxazol-3-ylcarbamoylamino)thiophene-3-carboxylic acid?
The InChIKey is RVUNIYTYCIVNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c1-5-6(2)19-9(8(5)10(15)16)13-11(17)12-7-3-4-18-14-7/h3-4H,1-2H3,(H,15,16)(H2,12,13,14,17).
What are the key properties of 4,5-dimethyl-2-(1,2-oxazol-3-ylcarbamoylamino)thiophene-3-carboxylic acid?
4,5-dimethyl-2-(1,2-oxazol-3-ylcarbamoylamino)thiophene-3-carboxylic acid has a molecular weight of 281.29 g/mol, XLogP of 2.70, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(1,2-oxazol-3-ylcarbamoylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 63114615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).