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

C14H14N2O4 — CID 61497495

IUPAC3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1OCc1noc(C2CC2)n1
InChIInChI=1S/C14H14N2O4/c1-8-2-3-10(14(17)18)6-11(8)19-7-12-15-13(20-16-12)9-4-5-9/h2-3,6,9H,4-5,7H2,1H3,(H,17,18)
InChIKeyWQXNLOBFPRENAT-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.53
Rot. Bonds5

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

3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylbenzoic acid (PubChem CID 61497495) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylbenzoic acid
PubChem CID61497495
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1OCc1noc(C2CC2)n1
InChIInChI=1S/C14H14N2O4/c1-8-2-3-10(14(17)18)6-11(8)19-7-12-15-13(20-16-12)9-4-5-9/h2-3,6,9H,4-5,7H2,1H3,(H,17,18)
InChIKeyWQXNLOBFPRENAT-UHFFFAOYSA-N
XLogP2.53
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methylphenyl]-N-methoxyethanimine
CID 100672675
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]pyridine-4-carboxylic acid
CID 81446484
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxybenzoic acid
CID 61497419
(2S)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]propanoic acid
CID 104876160
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-3-(trifluoromethyl)benzoic acid
CID 63320135
1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]ethanamine
CID 61497144
2-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid
CID 61496904
[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methanamine
CID 61497179
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-6-fluorobenzamide
CID 86790986
1-[4-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 102948199
5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 65455205
N-[[3-bromo-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 63045674

Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylbenzoic acid?
The IUPAC name of 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylbenzoic acid (CID 61497495) is 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylbenzoic acid.
What is the SMILES notation for 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylbenzoic acid?
The canonical SMILES for 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylbenzoic acid is Cc1ccc(C(=O)O)cc1OCc1noc(C2CC2)n1.
What is the InChIKey of 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylbenzoic acid?
The InChIKey is WQXNLOBFPRENAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-8-2-3-10(14(17)18)6-11(8)19-7-12-15-13(20-16-12)9-4-5-9/h2-3,6,9H,4-5,7H2,1H3,(H,17,18).
What are the key properties of 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylbenzoic acid?
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylbenzoic acid has a molecular weight of 274.28 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylbenzoic acid is sourced from PubChem (CID 61497495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).