2-[[5-ethyl-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid

C17H15N3O4S — CID 21296125

IUPAC2-[[5-ethyl-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
SMILESCCc1sc(NC(=O)C(=O)O)nc1-c1c(-c2ccccc2)noc1C
InChIInChI=1S/C17H15N3O4S/c1-3-11-14(18-17(25-11)19-15(21)16(22)23)12-9(2)24-20-13(12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,22,23)(H,18,19,21)
InChIKeyNSDGSOQCNWUYQG-UHFFFAOYSA-N
MW357.39 g/mol
LogP3.36
Rot. Bonds4

About 2-[[5-ethyl-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid

2-[[5-ethyl-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid (PubChem CID 21296125) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-[[5-ethyl-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[[5-ethyl-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
PubChem CID21296125
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC Name2-[[5-ethyl-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
SMILESCCc1sc(NC(=O)C(=O)O)nc1-c1c(-c2ccccc2)noc1C
InChIInChI=1S/C17H15N3O4S/c1-3-11-14(18-17(25-11)19-15(21)16(22)23)12-9(2)24-20-13(12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,22,23)(H,18,19,21)
InChIKeyNSDGSOQCNWUYQG-UHFFFAOYSA-N
XLogP3.36
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[[5-ethyl-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromophenyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 5227913
ethyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 16566735
N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 11688036
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-propoxybenzamide
CID 4284156
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methylpropanoylamino)benzamide
CID 4083899
(1R,2S,3R,4R)-3-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 98300704
cis-(1S,2R)-2-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate
CID 7121338
4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzoic acid
CID 58833412
ethyl N-(5-amino-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 58911903
2,2-dimethyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide
CID 11537451
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide
CID 19226363
5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-phenylpyrazole-1-carboxamide
CID 2745590

Frequently Asked Questions

What is the IUPAC name of 2-[[5-ethyl-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid?
The IUPAC name of 2-[[5-ethyl-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid (CID 21296125) is 2-[[5-ethyl-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[[5-ethyl-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid?
The canonical SMILES for 2-[[5-ethyl-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid is CCc1sc(NC(=O)C(=O)O)nc1-c1c(-c2ccccc2)noc1C.
What is the InChIKey of 2-[[5-ethyl-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid?
The InChIKey is NSDGSOQCNWUYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c1-3-11-14(18-17(25-11)19-15(21)16(22)23)12-9(2)24-20-13(12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,22,23)(H,18,19,21).
What are the key properties of 2-[[5-ethyl-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid?
2-[[5-ethyl-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid has a molecular weight of 357.39 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-ethyl-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid is sourced from PubChem (CID 21296125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).