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

C17H14N2O4 — CID 23008204

IUPAC2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid
SMILESCc1ccccc1-c1noc(-c2ccccc2OCC(=O)O)n1
InChIInChI=1S/C17H14N2O4/c1-11-6-2-3-7-12(11)16-18-17(23-19-16)13-8-4-5-9-14(13)22-10-15(20)21/h2-9H,10H2,1H3,(H,20,21)
InChIKeyWXTTYTQYZQSWJN-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.18
Rot. Bonds5

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

2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid (PubChem CID 23008204) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid
PubChem CID23008204
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid
SMILESCc1ccccc1-c1noc(-c2ccccc2OCC(=O)O)n1
InChIInChI=1S/C17H14N2O4/c1-11-6-2-3-7-12(11)16-18-17(23-19-16)13-8-4-5-9-14(13)22-10-15(20)21/h2-9H,10H2,1H3,(H,20,21)
InChIKeyWXTTYTQYZQSWJN-UHFFFAOYSA-N
XLogP3.18
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746040
2-[2-(3-amino-1,2,4-oxadiazol-5-yl)phenoxy]acetic acid
CID 919828
N-(2,5-dimethylphenyl)-2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 46264826
2-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]acetic acid
CID 23010388
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 2480918
2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid
CID 23010460
N,N-diethyl-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746022
2-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 50745782
2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetic acid
CID 28864574
N-(2,3-dimethylphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50745798
N-(2,3-dimethylphenyl)-2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746105
N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100579097

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid (CID 23008204) is 2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid is Cc1ccccc1-c1noc(-c2ccccc2OCC(=O)O)n1.
What is the InChIKey of 2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid?
The InChIKey is WXTTYTQYZQSWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-11-6-2-3-7-12(11)16-18-17(23-19-16)13-8-4-5-9-14(13)22-10-15(20)21/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of 2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid?
2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid has a molecular weight of 310.31 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid is sourced from PubChem (CID 23008204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).