2-[[5-(5-ethyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid

C10H11N3O4S — CID 23006841

IUPAC2-[[5-(5-ethyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
SMILESCCc1cc(-c2nnc(SC(C)C(=O)O)o2)no1
InChIInChI=1S/C10H11N3O4S/c1-3-6-4-7(13-17-6)8-11-12-10(16-8)18-5(2)9(14)15/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyNTQNTHBMBYFTHQ-UHFFFAOYSA-N
MW269.28 g/mol
LogP1.85
Rot. Bonds5

About 2-[[5-(5-ethyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid

2-[[5-(5-ethyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid (PubChem CID 23006841) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-[[5-(5-ethyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid.

Molecular Properties

Compound Name2-[[5-(5-ethyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
PubChem CID23006841
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC Name2-[[5-(5-ethyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
SMILESCCc1cc(-c2nnc(SC(C)C(=O)O)o2)no1
InChIInChI=1S/C10H11N3O4S/c1-3-6-4-7(13-17-6)8-11-12-10(16-8)18-5(2)9(14)15/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyNTQNTHBMBYFTHQ-UHFFFAOYSA-N
XLogP1.85
TPSA102.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[5-(5-ethyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic 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

(2S)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 9484150
2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 45134896
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 6472531
2-[[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 9484253
2-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 23006665
(2R)-2-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 9484184
2-[[5-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 23006873
3-(5-ethyl-1,2-oxazol-3-yl)-2-methylpropanoic acid
CID 83828594
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpropanamide
CID 47119494
(2R)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 1170468
(2R)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate
CID 9484229
(2R)-1-(4-ethylphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 7816494

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(5-ethyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid?
The IUPAC name of 2-[[5-(5-ethyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid (CID 23006841) is 2-[[5-(5-ethyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid.
What is the SMILES notation for 2-[[5-(5-ethyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid?
The canonical SMILES for 2-[[5-(5-ethyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid is CCc1cc(-c2nnc(SC(C)C(=O)O)o2)no1.
What is the InChIKey of 2-[[5-(5-ethyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid?
The InChIKey is NTQNTHBMBYFTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c1-3-6-4-7(13-17-6)8-11-12-10(16-8)18-5(2)9(14)15/h4-5H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-[[5-(5-ethyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid?
2-[[5-(5-ethyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid has a molecular weight of 269.28 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(5-ethyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid is sourced from PubChem (CID 23006841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).