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

C14H17N3O3 — CID 122060414

IUPAC2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]hexanoic acid
SMILESCCCCC(Nc1noc(-c2ccccc2)n1)C(=O)O
InChIInChI=1S/C14H17N3O3/c1-2-3-9-11(13(18)19)15-14-16-12(20-17-14)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3,(H,15,17)(H,18,19)
InChIKeyPZZBVDCFLIPLBJ-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.79
Rot. Bonds7

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

2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]hexanoic acid (PubChem CID 122060414) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]hexanoic acid
PubChem CID122060414
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]hexanoic acid
SMILESCCCCC(Nc1noc(-c2ccccc2)n1)C(=O)O
InChIInChI=1S/C14H17N3O3/c1-2-3-9-11(13(18)19)15-14-16-12(20-17-14)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3,(H,15,17)(H,18,19)
InChIKeyPZZBVDCFLIPLBJ-UHFFFAOYSA-N
XLogP2.79
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-methyl-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid
CID 122050104
(2S)-2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]hexanoic acid
CID 122062788
2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid
CID 122060559
2-[(4-methylpyrimidin-2-yl)amino]hexanoic acid
CID 62959796
2-[(2-phenylpyrimidin-4-yl)amino]hexanoic acid
CID 122060341
2-(1,3-benzoxazol-2-ylamino)hexanoic acid
CID 54895714
2-(2,6-dibromoanilino)hexanoic acid
CID 107601030
2-(2-methylsulfanylanilino)hexanoic acid
CID 107645239
(2S)-2-[[4-[1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]pentylamino]benzoyl]amino]propanoic acid
CID 172847930
2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]hexanoic acid
CID 110431099
6-(1-carboxypentylamino)pyridine-2-carboxylic acid
CID 122060298
(2S)-2-[(4-tert-butylpyrimidin-2-yl)amino]hexanoic acid
CID 122062726

Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]hexanoic acid?
The IUPAC name of 2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]hexanoic acid (CID 122060414) is 2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]hexanoic acid.
What is the SMILES notation for 2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]hexanoic acid?
The canonical SMILES for 2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]hexanoic acid is CCCCC(Nc1noc(-c2ccccc2)n1)C(=O)O.
What is the InChIKey of 2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]hexanoic acid?
The InChIKey is PZZBVDCFLIPLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-2-3-9-11(13(18)19)15-14-16-12(20-17-14)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]hexanoic acid?
2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]hexanoic acid has a molecular weight of 275.31 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]hexanoic acid is sourced from PubChem (CID 122060414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).