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

C11H11NO4S — CID 43241616

IUPAC2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]propanoic acid
SMILESCC(SCc1cc(-c2ccco2)on1)C(=O)O
InChIInChI=1S/C11H11NO4S/c1-7(11(13)14)17-6-8-5-10(16-12-8)9-3-2-4-15-9/h2-5,7H,6H2,1H3,(H,13,14)
InChIKeyOPYDNLNZPLSVSC-UHFFFAOYSA-N
MW253.28 g/mol
LogP2.64
Rot. Bonds5

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

2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]propanoic acid (PubChem CID 43241616) has the molecular formula C11H11NO4S and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]propanoic acid.

Molecular Properties

Compound Name2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]propanoic acid
PubChem CID43241616
Molecular FormulaC11H11NO4S
Molecular Weight253.28 g/mol
Exact Mass253.04
IUPAC Name2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]propanoic acid
SMILESCC(SCc1cc(-c2ccco2)on1)C(=O)O
InChIInChI=1S/C11H11NO4S/c1-7(11(13)14)17-6-8-5-10(16-12-8)9-3-2-4-15-9/h2-5,7H,6H2,1H3,(H,13,14)
InChIKeyOPYDNLNZPLSVSC-UHFFFAOYSA-N
XLogP2.64
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-2-methylpropanoic acid
CID 81230209
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dimethylbutanamide
CID 118334208
3-(benzylsulfanylmethyl)-5-(furan-2-yl)-1,2-oxazole
CID 112808354
3-methyl-2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]butanoic acid
CID 105353847
4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]phenol
CID 47298267
(2S)-2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-3-methylbutanoic acid
CID 61136607
[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine
CID 7060533
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-propan-2-yloxybenzamide
CID 30607978
6-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]-4-methylhexanoic acid
CID 65287211
2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-3-methylpentanoic acid
CID 43356526
[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 53398902
(2S)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-propylpropanamide
CID 94795933

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]propanoic acid?
The IUPAC name of 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]propanoic acid (CID 43241616) is 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]propanoic acid.
What is the SMILES notation for 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]propanoic acid?
The canonical SMILES for 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]propanoic acid is CC(SCc1cc(-c2ccco2)on1)C(=O)O.
What is the InChIKey of 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]propanoic acid?
The InChIKey is OPYDNLNZPLSVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4S/c1-7(11(13)14)17-6-8-5-10(16-12-8)9-3-2-4-15-9/h2-5,7H,6H2,1H3,(H,13,14).
What are the key properties of 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]propanoic acid?
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]propanoic acid has a molecular weight of 253.28 g/mol, XLogP of 2.64, 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]propanoic acid is sourced from PubChem (CID 43241616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).