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

C13H14N2O4 — CID 23010469

IUPAC2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetic acid
SMILESCC(C)c1noc(-c2ccc(OCC(=O)O)cc2)n1
InChIInChI=1S/C13H14N2O4/c1-8(2)12-14-13(19-15-12)9-3-5-10(6-4-9)18-7-11(16)17/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyAYWNEGGMOXVOLE-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.32
Rot. Bonds5

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

2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetic acid (PubChem CID 23010469) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetic acid
PubChem CID23010469
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetic acid
SMILESCC(C)c1noc(-c2ccc(OCC(=O)O)cc2)n1
InChIInChI=1S/C13H14N2O4/c1-8(2)12-14-13(19-15-12)9-3-5-10(6-4-9)18-7-11(16)17/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyAYWNEGGMOXVOLE-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

N-(3-methylbutyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25238347
N-(3-acetylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25237908
N-(3-chlorophenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25237975
N-(2-bromo-4-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25237928
N-(4-bromo-2-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25237925
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone
CID 25238092
1-(4-benzylpiperidin-1-yl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone
CID 25238340
N-(3-chloro-4-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25237929
N-(5-chloro-2-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25237923
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25238087
2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid
CID 23010460
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone
CID 25238351

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetic acid (CID 23010469) is 2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetic acid is CC(C)c1noc(-c2ccc(OCC(=O)O)cc2)n1.
What is the InChIKey of 2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetic acid?
The InChIKey is AYWNEGGMOXVOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-8(2)12-14-13(19-15-12)9-3-5-10(6-4-9)18-7-11(16)17/h3-6,8H,7H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetic acid?
2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-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-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetic acid is sourced from PubChem (CID 23010469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).