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

C17H15N3O4 — CID 167809685

IUPAC2-[3-[[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(CNc2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C17H15N3O4/c21-15(22)11-23-14-8-4-5-12(9-14)10-18-17-19-16(20-24-17)13-6-2-1-3-7-13/h1-9H,10-11H2,(H,21,22)(H,18,19,20)
InChIKeyAGBPXFOKYLDKMW-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.81
Rot. Bonds7

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

2-[3-[[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenoxy]acetic acid (PubChem CID 167809685) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 2-[3-[[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenoxy]acetic acid
PubChem CID167809685
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name2-[3-[[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(CNc2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C17H15N3O4/c21-15(22)11-23-14-8-4-5-12(9-14)10-18-17-19-16(20-24-17)13-6-2-1-3-7-13/h1-9H,10-11H2,(H,21,22)(H,18,19,20)
InChIKeyAGBPXFOKYLDKMW-UHFFFAOYSA-N
XLogP2.81
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-[[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-fluorophenyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-amine
CID 154866240
N-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine
CID 46342000
N-[(3-bromophenyl)methyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25238040
N-[3-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]butanamide
CID 133317401
2-[3-[[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]methyl]phenoxy]acetic acid
CID 119246431
methyl N-[4-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]carbamate
CID 133317526
ethyl 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]acetate
CID 4126918
N-benzyl-2-[3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032489
N-benzyl-2-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 50755668
3-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 46342235
2-[3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenoxy]acetic acid
CID 166155489
N-(4-methoxyphenyl)-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266503

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenoxy]acetic acid (CID 167809685) is 2-[3-[[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenoxy]acetic acid is O=C(O)COc1cccc(CNc2nc(-c3ccccc3)no2)c1.
What is the InChIKey of 2-[3-[[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenoxy]acetic acid?
The InChIKey is AGBPXFOKYLDKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c21-15(22)11-23-14-8-4-5-12(9-14)10-18-17-19-16(20-24-17)13-6-2-1-3-7-13/h1-9H,10-11H2,(H,21,22)(H,18,19,20).
What are the key properties of 2-[3-[[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenoxy]acetic acid?
2-[3-[[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenoxy]acetic acid has a molecular weight of 325.32 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenoxy]acetic acid is sourced from PubChem (CID 167809685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).