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

C13H12N2O4 — CID 43473114

IUPAC4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
SMILESO=C(O)c1ccc(OCc2nc(C3CC3)no2)cc1
InChIInChI=1S/C13H12N2O4/c16-13(17)9-3-5-10(6-4-9)18-7-11-14-12(15-19-11)8-1-2-8/h3-6,8H,1-2,7H2,(H,16,17)
InChIKeyCBGKLJXZYWLRKL-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.22
Rot. Bonds5

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

4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid (PubChem CID 43473114) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
PubChem CID43473114
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
SMILESO=C(O)c1ccc(OCc2nc(C3CC3)no2)cc1
InChIInChI=1S/C13H12N2O4/c16-13(17)9-3-5-10(6-4-9)18-7-11-14-12(15-19-11)8-1-2-8/h3-6,8H,1-2,7H2,(H,16,17)
InChIKeyCBGKLJXZYWLRKL-UHFFFAOYSA-N
XLogP2.22
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carboxylic acid
CID 79794330
5-[(4-bromophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole
CID 60773437
2-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-ol
CID 75499143
(1S)-1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 63364095
N-[[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 61495910
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carboxylic acid
CID 61380152
1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 61495920
5-[(4-chloro-3-fluorophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole
CID 82705989
2-[4-[[3-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxyacetamide
CID 155511305
3-cyclopropyl-5-[[4-[(1-methylpyrazol-4-yl)methoxy]phenoxy]methyl]-1,2,4-oxadiazole
CID 75372440
4-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid
CID 30029077
3-[(3S)-oxolan-3-yl]-5-(phenoxymethyl)-1,2,4-oxadiazole
CID 97082819

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid?
The IUPAC name of 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid (CID 43473114) is 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid.
What is the SMILES notation for 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid?
The canonical SMILES for 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid is O=C(O)c1ccc(OCc2nc(C3CC3)no2)cc1.
What is the InChIKey of 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid?
The InChIKey is CBGKLJXZYWLRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c16-13(17)9-3-5-10(6-4-9)18-7-11-14-12(15-19-11)8-1-2-8/h3-6,8H,1-2,7H2,(H,16,17).
What are the key properties of 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid?
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid has a molecular weight of 260.25 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid is sourced from PubChem (CID 43473114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).