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

C13H14N2O4 — CID 23010388

IUPAC2-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]acetic acid
SMILESCC(C)c1nc(-c2ccccc2OCC(=O)O)no1
InChIInChI=1S/C13H14N2O4/c1-8(2)13-14-12(15-19-13)9-5-3-4-6-10(9)18-7-11(16)17/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyMPSKAXSPXIEEHY-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.32
Rot. Bonds5

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

2-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]acetic acid (PubChem CID 23010388) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]acetic acid
PubChem CID23010388
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name2-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]acetic acid
SMILESCC(C)c1nc(-c2ccccc2OCC(=O)O)no1
InChIInChI=1S/C13H14N2O4/c1-8(2)13-14-12(15-19-13)9-5-3-4-6-10(9)18-7-11(16)17/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyMPSKAXSPXIEEHY-UHFFFAOYSA-N
XLogP2.32
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid
CID 23008204
2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid
CID 23010460
3-[3-(2-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine;hydrochloride
CID 120839792
2-[2-(3-amino-1,2,4-oxadiazol-5-yl)phenoxy]acetic acid
CID 919828
3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 115534479
2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetic acid
CID 28864574
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63346270
2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 115533112
1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 115534402
2-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide
CID 45032784
1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 56810229
tert-butyl (3R)-3-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]butanoate
CID 152900429

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]acetic acid?
The IUPAC name of 2-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]acetic acid (CID 23010388) is 2-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]acetic acid is CC(C)c1nc(-c2ccccc2OCC(=O)O)no1.
What is the InChIKey of 2-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]acetic acid?
The InChIKey is MPSKAXSPXIEEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-8(2)13-14-12(15-19-13)9-5-3-4-6-10(9)18-7-11(16)17/h3-6,8H,7H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]acetic acid?
2-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]acetic acid has a molecular weight of 262.26 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]acetic acid is sourced from PubChem (CID 23010388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).