4-oxo-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]butanoic acid

C12H11N3O4 — CID 91622666

IUPAC4-oxo-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]butanoic acid
SMILESO=C(O)CCC(=O)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C12H11N3O4/c16-9(6-7-10(17)18)13-12-15-14-11(19-12)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,17,18)(H,13,15,16)
InChIKeyFRYQDALSBPOJDN-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.54
Rot. Bonds5

About 4-oxo-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]butanoic acid

4-oxo-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]butanoic acid (PubChem CID 91622666) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is 4-oxo-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-oxo-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]butanoic acid
PubChem CID91622666
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Name4-oxo-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]butanoic acid
SMILESO=C(O)CCC(=O)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C12H11N3O4/c16-9(6-7-10(17)18)13-12-15-14-11(19-12)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,17,18)(H,13,15,16)
InChIKeyFRYQDALSBPOJDN-UHFFFAOYSA-N
XLogP1.54
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)sulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 7254939
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-methylpropanoate
CID 7782402
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 3,3-dimethylbutanoate
CID 7950761
2-bromo-2-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 114327579
4-(pentanoylamino)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 45016444
4-(benzenesulfonyl)-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]butanamide
CID 16854630
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylsulfanylpropanamide
CID 43976222
2-(2-cyanophenoxy)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 7433407
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] N,N-dimethylcarbamodithioate
CID 7554700
N-(5-phenyl-1,3,4-oxadiazol-2-yl)but-2-enamide
CID 73010503
2-[2-(diethylamino)ethoxy]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 11723404
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 3-phenylprop-2-enoate
CID 71953493

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]butanoic acid?
The IUPAC name of 4-oxo-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]butanoic acid (CID 91622666) is 4-oxo-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]butanoic acid.
What is the SMILES notation for 4-oxo-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]butanoic acid?
The canonical SMILES for 4-oxo-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]butanoic acid is O=C(O)CCC(=O)Nc1nnc(-c2ccccc2)o1.
What is the InChIKey of 4-oxo-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]butanoic acid?
The InChIKey is FRYQDALSBPOJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c16-9(6-7-10(17)18)13-12-15-14-11(19-12)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,17,18)(H,13,15,16).
What are the key properties of 4-oxo-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]butanoic acid?
4-oxo-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]butanoic acid has a molecular weight of 261.24 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]butanoic acid is sourced from PubChem (CID 91622666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).