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

C8H12N2O4 — CID 61312303

IUPAC2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid
SMILESCC(C)c1noc(COCC(=O)O)n1
InChIInChI=1S/C8H12N2O4/c1-5(2)8-9-6(14-10-8)3-13-4-7(11)12/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyKHVQZMIGBNTGFC-UHFFFAOYSA-N
MW200.19 g/mol
LogP0.79
Rot. Bonds5

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

2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid (PubChem CID 61312303) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is 2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid.

Molecular Properties

Compound Name2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid
PubChem CID61312303
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid
SMILESCC(C)c1noc(COCC(=O)O)n1
InChIInChI=1S/C8H12N2O4/c1-5(2)8-9-6(14-10-8)3-13-4-7(11)12/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyKHVQZMIGBNTGFC-UHFFFAOYSA-N
XLogP0.79
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
CID 116704876
2-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
CID 61313489
3-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid
CID 60987942
N-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]propan-2-amine
CID 62342220
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol
CID 25219499
2-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid
CID 61313488
1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone
CID 47020468
ethyl 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79004032
4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]cyclohexan-1-ol
CID 113414322
N-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]propan-1-amine
CID 62338045
4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 30591348
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-hydroxycyclohexane-1-carboxylate
CID 55539803

Frequently Asked Questions

What is the IUPAC name of 2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid?
The IUPAC name of 2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid (CID 61312303) is 2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid.
What is the SMILES notation for 2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid?
The canonical SMILES for 2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid is CC(C)c1noc(COCC(=O)O)n1.
What is the InChIKey of 2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid?
The InChIKey is KHVQZMIGBNTGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-5(2)8-9-6(14-10-8)3-13-4-7(11)12/h5H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid?
2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid has a molecular weight of 200.19 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid is sourced from PubChem (CID 61312303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).