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

C15H17N3O5 — CID 119231317

IUPAC2-[3-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]phenoxy]acetic acid
SMILESCc1noc(CCC(=O)Nc2ccc(OCC(=O)O)cc2C)n1
InChIInChI=1S/C15H17N3O5/c1-9-7-11(22-8-15(20)21)3-4-12(9)17-13(19)5-6-14-16-10(2)18-23-14/h3-4,7H,5-6,8H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyOWNQDLNOFJOOCQ-UHFFFAOYSA-N
MW319.32 g/mol
LogP1.72
Rot. Bonds7

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

2-[3-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]phenoxy]acetic acid (PubChem CID 119231317) has the molecular formula C15H17N3O5 and a molecular weight of 319.32 g/mol. Its IUPAC name is 2-[3-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]phenoxy]acetic acid
PubChem CID119231317
Molecular FormulaC15H17N3O5
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC Name2-[3-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]phenoxy]acetic acid
SMILESCc1noc(CCC(=O)Nc2ccc(OCC(=O)O)cc2C)n1
InChIInChI=1S/C15H17N3O5/c1-9-7-11(22-8-15(20)21)3-4-12(9)17-13(19)5-6-14-16-10(2)18-23-14/h3-4,7H,5-6,8H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyOWNQDLNOFJOOCQ-UHFFFAOYSA-N
XLogP1.72
TPSA114.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]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

2-[4-(butanoylamino)-3-methylphenoxy]acetic acid
CID 119231512
2-[4-[[2-(4-iodophenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
CID 17342102
N-(2-fluoro-4-methylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 86917581
2-[3-methyl-4-(3-methylbutanoylamino)phenoxy]acetic acid
CID 119231825
2-[4-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-methylphenoxy]acetic acid
CID 120687330
2-[3-methyl-4-[3-(oxan-4-yl)propanoylamino]phenoxy]acetic acid
CID 119231891
2-[4-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-3-methylphenoxy]acetic acid
CID 119231456
2-[4-[[5-(diethylamino)-5-oxopentanoyl]amino]-3-methylphenoxy]acetic acid
CID 119231553
2-[4-[4-(3-acetylphenoxy)butanoylamino]-3-methylphenoxy]acetic acid
CID 119231587
2-[3-methyl-4-[3-(1,2,4-triazol-1-yl)propanoylamino]phenoxy]acetic acid
CID 119231845
2-[4-[4-(2-chlorophenoxy)butanoylamino]-3-methylphenoxy]acetic acid
CID 119231408
2-[4-[5-(1,3-benzothiazol-2-yl)pentanoylamino]-3-methylphenoxy]acetic acid
CID 119231471

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]phenoxy]acetic acid?
The IUPAC name of 2-[3-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]phenoxy]acetic acid (CID 119231317) is 2-[3-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]phenoxy]acetic acid is Cc1noc(CCC(=O)Nc2ccc(OCC(=O)O)cc2C)n1.
What is the InChIKey of 2-[3-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]phenoxy]acetic acid?
The InChIKey is OWNQDLNOFJOOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5/c1-9-7-11(22-8-15(20)21)3-4-12(9)17-13(19)5-6-14-16-10(2)18-23-14/h3-4,7H,5-6,8H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 2-[3-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]phenoxy]acetic acid?
2-[3-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]phenoxy]acetic acid has a molecular weight of 319.32 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]phenoxy]acetic acid is sourced from PubChem (CID 119231317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).