5-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C10H11N3O4S — CID 107427011

IUPAC5-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCN(Cc1cscn1)C(=O)C1CC(C(=O)O)=NO1
InChIInChI=1S/C10H11N3O4S/c1-13(3-6-4-18-5-11-6)9(14)8-2-7(10(15)16)12-17-8/h4-5,8H,2-3H2,1H3,(H,15,16)
InChIKeyZRABSGCCMWISNJ-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.33
Rot. Bonds4

About 5-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107427011) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is 5-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID107427011
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC Name5-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCN(Cc1cscn1)C(=O)C1CC(C(=O)O)=NO1
InChIInChI=1S/C10H11N3O4S/c1-13(3-6-4-18-5-11-6)9(14)8-2-7(10(15)16)12-17-8/h4-5,8H,2-3H2,1H3,(H,15,16)
InChIKeyZRABSGCCMWISNJ-UHFFFAOYSA-N
XLogP0.33
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107427011) is 5-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is CN(Cc1cscn1)C(=O)C1CC(C(=O)O)=NO1.
What is the InChIKey of 5-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is ZRABSGCCMWISNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c1-13(3-6-4-18-5-11-6)9(14)8-2-7(10(15)16)12-17-8/h4-5,8H,2-3H2,1H3,(H,15,16).
What are the key properties of 5-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 269.28 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107427011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).