2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetic acid

C10H8N2O3 — CID 7017713

IUPAC2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetic acid
SMILESO=C(O)Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C10H8N2O3/c13-9(14)6-8-11-10(12-15-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
InChIKeyFTUATJKDOQCWME-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.36
Rot. Bonds3

About 2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetic acid

2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetic acid (PubChem CID 7017713) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetic acid
PubChem CID7017713
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetic acid
SMILESO=C(O)Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C10H8N2O3/c13-9(14)6-8-11-10(12-15-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
InChIKeyFTUATJKDOQCWME-UHFFFAOYSA-N
XLogP1.36
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 174569483
5-benzyl-3-phenyl-1,2,4-oxadiazole
CID 752274
3-[3-[3-[5-(2-carboxyethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]propanoic acid
CID 102054948
2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)acetic acid
CID 63948422
2-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]acetic acid
CID 115081827
3-[ethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid
CID 61010785
2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]acetic acid
CID 64618321
2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
CID 63345430
3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 71668568
2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 61273245
3-[3-(1-methylpyridin-1-ium-4-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 3273122
(2,6-dimethylphenyl) 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate
CID 9192024

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetic acid?
The IUPAC name of 2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetic acid (CID 7017713) is 2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetic acid.
What is the SMILES notation for 2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetic acid?
The canonical SMILES for 2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetic acid is O=C(O)Cc1nc(-c2ccccc2)no1.
What is the InChIKey of 2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetic acid?
The InChIKey is FTUATJKDOQCWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c13-9(14)6-8-11-10(12-15-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14).
What are the key properties of 2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetic acid?
2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetic acid has a molecular weight of 204.19 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetic acid is sourced from PubChem (CID 7017713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).