2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid

C15H18N2O4 — CID 61329835

IUPAC2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
SMILESCC(C)(C)c1ccc(-c2nnc(COCC(=O)O)o2)cc1
InChIInChI=1S/C15H18N2O4/c1-15(2,3)11-6-4-10(5-7-11)14-17-16-12(21-14)8-20-9-13(18)19/h4-7H,8-9H2,1-3H3,(H,18,19)
InChIKeyIKOZCNGEXJKIDO-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.64
Rot. Bonds5

About 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid

2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid (PubChem CID 61329835) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
PubChem CID61329835
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
SMILESCC(C)(C)c1ccc(-c2nnc(COCC(=O)O)o2)cc1
InChIInChI=1S/C15H18N2O4/c1-15(2,3)11-6-4-10(5-7-11)14-17-16-12(21-14)8-20-9-13(18)19/h4-7H,8-9H2,1-3H3,(H,18,19)
InChIKeyIKOZCNGEXJKIDO-UHFFFAOYSA-N
XLogP2.64
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(3-bromo-4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 81475602
2-[[5-(6-oxo-1H-pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 136710745
2-[[5-(1H-pyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 135969087
2-[[5-(5-methylfuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 61327899
2-[[5-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 61327708
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 61327335
2-[[5-(2-ethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 114103591
2-[[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 106855287
2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 61327522
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-tert-butylphenoxy)acetate
CID 9327949
2-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 65216400
2-[[5-(2,3,4-trifluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 79749471

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
The IUPAC name of 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid (CID 61329835) is 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid is CC(C)(C)c1ccc(-c2nnc(COCC(=O)O)o2)cc1.
What is the InChIKey of 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
The InChIKey is IKOZCNGEXJKIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-15(2,3)11-6-4-10(5-7-11)14-17-16-12(21-14)8-20-9-13(18)19/h4-7H,8-9H2,1-3H3,(H,18,19).
What are the key properties of 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid has a molecular weight of 290.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid is sourced from PubChem (CID 61329835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).