2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-2-methylpropanoic acid

C12H13NO4S — CID 81230209

IUPAC2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-2-methylpropanoic acid
SMILESCC(C)(SCc1cc(-c2ccco2)on1)C(=O)O
InChIInChI=1S/C12H13NO4S/c1-12(2,11(14)15)18-7-8-6-10(17-13-8)9-4-3-5-16-9/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeySTENRRIWUSIHRJ-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.03
Rot. Bonds5

About 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-2-methylpropanoic acid

2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-2-methylpropanoic acid (PubChem CID 81230209) has the molecular formula C12H13NO4S and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-2-methylpropanoic acid
PubChem CID81230209
Molecular FormulaC12H13NO4S
Molecular Weight267.31 g/mol
Exact Mass267.06
IUPAC Name2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-2-methylpropanoic acid
SMILESCC(C)(SCc1cc(-c2ccco2)on1)C(=O)O
InChIInChI=1S/C12H13NO4S/c1-12(2,11(14)15)18-7-8-6-10(17-13-8)9-4-3-5-16-9/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeySTENRRIWUSIHRJ-UHFFFAOYSA-N
XLogP3.03
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-2-methylpropanoic 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-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]propanoic acid
CID 43241616
3-(benzylsulfanylmethyl)-5-(furan-2-yl)-1,2-oxazole
CID 112808354
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-2-methylpropanoic acid
CID 81230163
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 78925092
4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]phenol
CID 47298267
[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine
CID 7060533
4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]benzoic acid
CID 43214757
3-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-5-(furan-2-yl)-1,2-oxazole
CID 18098780
[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 53398902
2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-2-methylbutanoic acid
CID 79793569
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-methylmethanamine
CID 7537518
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dimethylbutanamide
CID 118334208

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-2-methylpropanoic acid?
The IUPAC name of 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-2-methylpropanoic acid (CID 81230209) is 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-2-methylpropanoic acid is CC(C)(SCc1cc(-c2ccco2)on1)C(=O)O.
What is the InChIKey of 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-2-methylpropanoic acid?
The InChIKey is STENRRIWUSIHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4S/c1-12(2,11(14)15)18-7-8-6-10(17-13-8)9-4-3-5-16-9/h3-6H,7H2,1-2H3,(H,14,15).
What are the key properties of 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-2-methylpropanoic acid?
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-2-methylpropanoic acid has a molecular weight of 267.31 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-2-methylpropanoic acid is sourced from PubChem (CID 81230209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).