2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid

C10H8N2O4S — CID 1133232

IUPAC2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
SMILESO=C(O)CSc1nnc(-c2ccc(O)cc2)o1
InChIInChI=1S/C10H8N2O4S/c13-7-3-1-6(2-4-7)9-11-12-10(16-9)17-5-8(14)15/h1-4,13H,5H2,(H,14,15)
InChIKeyBKPGCTZSMBRHBQ-UHFFFAOYSA-N
MW252.25 g/mol
LogP1.62
Rot. Bonds4

About 2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid

2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid (PubChem CID 1133232) has the molecular formula C10H8N2O4S and a molecular weight of 252.25 g/mol. Its IUPAC name is 2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
PubChem CID1133232
Molecular FormulaC10H8N2O4S
Molecular Weight252.25 g/mol
Exact Mass252.02
IUPAC Name2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
SMILESO=C(O)CSc1nnc(-c2ccc(O)cc2)o1
InChIInChI=1S/C10H8N2O4S/c13-7-3-1-6(2-4-7)9-11-12-10(16-9)17-5-8(14)15/h1-4,13H,5H2,(H,14,15)
InChIKeyBKPGCTZSMBRHBQ-UHFFFAOYSA-N
XLogP1.62
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid?
The IUPAC name of 2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid (CID 1133232) is 2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid.
What is the SMILES notation for 2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid?
The canonical SMILES for 2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid is O=C(O)CSc1nnc(-c2ccc(O)cc2)o1.
What is the InChIKey of 2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid?
The InChIKey is BKPGCTZSMBRHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4S/c13-7-3-1-6(2-4-7)9-11-12-10(16-9)17-5-8(14)15/h1-4,13H,5H2,(H,14,15).
What are the key properties of 2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid?
2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid has a molecular weight of 252.25 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid is sourced from PubChem (CID 1133232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).