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

C12H13N3O4 — CID 81445973

IUPAC3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-4-carboxylic acid
SMILESCC(C)c1noc(COc2cnccc2C(=O)O)n1
InChIInChI=1S/C12H13N3O4/c1-7(2)11-14-10(19-15-11)6-18-9-5-13-4-3-8(9)12(16)17/h3-5,7H,6H2,1-2H3,(H,16,17)
InChIKeyBFZIKYUILWEQFW-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.87
Rot. Bonds5

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

3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-4-carboxylic acid (PubChem CID 81445973) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-4-carboxylic acid
PubChem CID81445973
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-4-carboxylic acid
SMILESCC(C)c1noc(COc2cnccc2C(=O)O)n1
InChIInChI=1S/C12H13N3O4/c1-7(2)11-14-10(19-15-11)6-18-9-5-13-4-3-8(9)12(16)17/h3-5,7H,6H2,1-2H3,(H,16,17)
InChIKeyBFZIKYUILWEQFW-UHFFFAOYSA-N
XLogP1.87
TPSA98.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 61379423
3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-4-carboxylic acid
CID 81440001
3-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-4-carboxylic acid
CID 81446500
1-[5-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone
CID 112724022
3-(2-fluoropropoxy)pyridine-4-carboxylic acid
CID 84668656
3-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid
CID 115505910
5-[(2-methylphenoxy)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 60721266
1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone
CID 47020468
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]pyridine-4-carboxylic acid
CID 81446484
4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 30591348
3-[(4-tert-butylphenyl)methoxy]pyridine-4-carboxylic acid
CID 81439619
3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]pyridine-4-carboxylic acid
CID 81445898

Frequently Asked Questions

What is the IUPAC name of 3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-4-carboxylic acid (CID 81445973) is 3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-4-carboxylic acid is CC(C)c1noc(COc2cnccc2C(=O)O)n1.
What is the InChIKey of 3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-4-carboxylic acid?
The InChIKey is BFZIKYUILWEQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-7(2)11-14-10(19-15-11)6-18-9-5-13-4-3-8(9)12(16)17/h3-5,7H,6H2,1-2H3,(H,16,17).
What are the key properties of 3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-4-carboxylic acid?
3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-4-carboxylic acid has a molecular weight of 263.25 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 81445973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).