3-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]propanoic acid

C12H11N3O4 — CID 43354760

IUPAC3-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1ccc(-c2nnco2)cc1
InChIInChI=1S/C12H11N3O4/c16-10(17)5-6-13-11(18)8-1-3-9(4-2-8)12-15-14-7-19-12/h1-4,7H,5-6H2,(H,13,18)(H,16,17)
InChIKeyUKIFLZXZSJYWNZ-UHFFFAOYSA-N
MW261.24 g/mol
LogP0.94
Rot. Bonds5

About 3-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]propanoic acid

3-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]propanoic acid (PubChem CID 43354760) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is 3-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]propanoic acid
PubChem CID43354760
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Name3-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1ccc(-c2nnco2)cc1
InChIInChI=1S/C12H11N3O4/c16-10(17)5-6-13-11(18)8-1-3-9(4-2-8)12-15-14-7-19-12/h1-4,7H,5-6H2,(H,13,18)(H,16,17)
InChIKeyUKIFLZXZSJYWNZ-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-hydroxypentyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 107318774
4-(1,3,4-oxadiazol-2-yl)benzamide
CID 43236825
N,N-diethyl-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 60656525
2-fluoro-N'-[4-(1,3,4-oxadiazol-2-yl)benzoyl]benzohydrazide
CID 9084736
diethyl-[[2-[[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]methyl]phenyl]methyl]azanium
CID 9073963
2-cyclopropyl-2-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]acetic acid
CID 62697061
N-(3-chloro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9072722
3-[[4-(methylamino)benzoyl]amino]propanoic acid
CID 119092205
[(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-(1,3,4-oxadiazol-2-yl)benzoate
CID 8999397
N-(4-butylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9075639
3-[(4-prop-1-enylbenzoyl)amino]propanoic acid
CID 91596650
N-(4-methyl-1H-pyrazol-5-yl)-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 104620146

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]propanoic acid?
The IUPAC name of 3-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]propanoic acid (CID 43354760) is 3-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]propanoic acid?
The canonical SMILES for 3-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]propanoic acid is O=C(O)CCNC(=O)c1ccc(-c2nnco2)cc1.
What is the InChIKey of 3-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]propanoic acid?
The InChIKey is UKIFLZXZSJYWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c16-10(17)5-6-13-11(18)8-1-3-9(4-2-8)12-15-14-7-19-12/h1-4,7H,5-6H2,(H,13,18)(H,16,17).
What are the key properties of 3-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]propanoic acid?
3-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]propanoic acid has a molecular weight of 261.24 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]propanoic acid is sourced from PubChem (CID 43354760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).