2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetic acid

C10H9N3O3S — CID 112683746

IUPAC2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetic acid
SMILESO=C(O)CSCc1nc(-c2cccnc2)no1
InChIInChI=1S/C10H9N3O3S/c14-9(15)6-17-5-8-12-10(13-16-8)7-2-1-3-11-4-7/h1-4H,5-6H2,(H,14,15)
InChIKeyNBASURGLRZJKLN-UHFFFAOYSA-N
MW251.27 g/mol
LogP1.45
Rot. Bonds5

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

2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetic acid (PubChem CID 112683746) has the molecular formula C10H9N3O3S and a molecular weight of 251.27 g/mol. Its IUPAC name is 2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetic acid
PubChem CID112683746
Molecular FormulaC10H9N3O3S
Molecular Weight251.27 g/mol
Exact Mass251.04
IUPAC Name2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetic acid
SMILESO=C(O)CSCc1nc(-c2cccnc2)no1
InChIInChI=1S/C10H9N3O3S/c14-9(15)6-17-5-8-12-10(13-16-8)7-2-1-3-11-4-7/h1-4H,5-6H2,(H,14,15)
InChIKeyNBASURGLRZJKLN-UHFFFAOYSA-N
XLogP1.45
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 3159643
2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)sulfanyl]acetic acid
CID 62955994
2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid
CID 112682859
2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetamide
CID 173127874
methyl 2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474655
1,1-difluoro-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-one
CID 55203346
2-[[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid
CID 136984587
2-pyridin-3-yl-5-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 121290445
2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 31407605
N-(1-phenylethyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide
CID 42951167
2-(3-bromo-4-pyridinyl)-5-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 121290399
N-[(2-chlorophenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide
CID 50759593

Frequently Asked Questions

What is the IUPAC name of 2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetic acid?
The IUPAC name of 2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetic acid (CID 112683746) is 2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetic acid.
What is the SMILES notation for 2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetic acid?
The canonical SMILES for 2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetic acid is O=C(O)CSCc1nc(-c2cccnc2)no1.
What is the InChIKey of 2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetic acid?
The InChIKey is NBASURGLRZJKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3S/c14-9(15)6-17-5-8-12-10(13-16-8)7-2-1-3-11-4-7/h1-4H,5-6H2,(H,14,15).
What are the key properties of 2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetic acid?
2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetic acid has a molecular weight of 251.27 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetic acid is sourced from PubChem (CID 112683746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).