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

C12H11N3O4 — CID 61380152

IUPAC3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OCc1nc(C2CC2)no1
InChIInChI=1S/C12H11N3O4/c16-12(17)10-8(2-1-5-13-10)18-6-9-14-11(15-19-9)7-3-4-7/h1-2,5,7H,3-4,6H2,(H,16,17)
InChIKeyXXYUVOWTQQKZTO-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.62
Rot. Bonds5

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

3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carboxylic acid (PubChem CID 61380152) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carboxylic acid
PubChem CID61380152
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Name3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OCc1nc(C2CC2)no1
InChIInChI=1S/C12H11N3O4/c16-12(17)10-8(2-1-5-13-10)18-6-9-14-11(15-19-9)7-3-4-7/h1-2,5,7H,3-4,6H2,(H,16,17)
InChIKeyXXYUVOWTQQKZTO-UHFFFAOYSA-N
XLogP1.62
TPSA98.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(Methoxymethyl)-5-(3-propan-2-yloxy-2-pyridinyl)-1,2,4-oxadiazole
CID 126837683
2-Fluoro-4-[5-[1-[[6-(2-methylpropanoyl)-3-pyridinyl]oxy]propyl]-1,2,4-oxadiazol-3-yl]benzoic acid
CID 117701014
4-[5-[(1R)-1-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]ethyl]-1,2,4-oxadiazol-3-yl]-2-fluorobenzoic acid
CID 117701067
(2E,4E,6E)-5-[3-[1-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]ethyl]-1,2,4-oxadiazol-5-yl]-7-fluoro-2-methylhepta-2,4,6-trienoic acid
CID 129267646
3-[[1-(Difluoromethyl)imidazol-2-yl]methoxy]pyridine-2-carboxylic acid
CID 61380348
1-[5-[3-(2,2,2-Trifluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851760
1-[5-[3-(2,2,2-Trifluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859963
1-[5-[3-(2,2,2-Trifluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859964
1-[5-[3-(2,2-Difluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860850
N-methyl-1-[5-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120865933
2-[3-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 136842506
2-[3-[2-(2,2-Difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 136842523

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carboxylic acid (CID 61380152) is 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carboxylic acid is O=C(O)c1ncccc1OCc1nc(C2CC2)no1.
What is the InChIKey of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carboxylic acid?
The InChIKey is XXYUVOWTQQKZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c16-12(17)10-8(2-1-5-13-10)18-6-9-14-11(15-19-9)7-3-4-7/h1-2,5,7H,3-4,6H2,(H,16,17).
What are the key properties of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carboxylic acid?
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carboxylic acid has a molecular weight of 261.24 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 61380152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).