5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol

C12H12N2O3 — CID 79732351

IUPAC5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol
SMILESCOc1ccc(-c2nc(C3CC3)no2)cc1O
InChIInChI=1S/C12H12N2O3/c1-16-10-5-4-8(6-9(10)15)12-13-11(14-17-12)7-2-3-7/h4-7,15H,2-3H2,1H3
InChIKeyFBFRTOSMPGODCF-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.33
Rot. Bonds3

About 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol

5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol (PubChem CID 79732351) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol.

Molecular Properties

Compound Name5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol
PubChem CID79732351
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol
SMILESCOc1ccc(-c2nc(C3CC3)no2)cc1O
InChIInChI=1S/C12H12N2O3/c1-16-10-5-4-8(6-9(10)15)12-13-11(14-17-12)7-2-3-7/h4-7,15H,2-3H2,1H3
InChIKeyFBFRTOSMPGODCF-UHFFFAOYSA-N
XLogP2.33
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol?
The IUPAC name of 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol (CID 79732351) is 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol.
What is the SMILES notation for 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol?
The canonical SMILES for 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol is COc1ccc(-c2nc(C3CC3)no2)cc1O.
What is the InChIKey of 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol?
The InChIKey is FBFRTOSMPGODCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-16-10-5-4-8(6-9(10)15)12-13-11(14-17-12)7-2-3-7/h4-7,15H,2-3H2,1H3.
What are the key properties of 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol?
5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol has a molecular weight of 232.24 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol is sourced from PubChem (CID 79732351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).