4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenol

C12H12N2O2 — CID 63851274

IUPAC4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenol
SMILESOc1ccc(Cc2nc(C3CC3)no2)cc1
InChIInChI=1S/C12H12N2O2/c15-10-5-1-8(2-6-10)7-11-13-12(14-16-11)9-3-4-9/h1-2,5-6,9,15H,3-4,7H2
InChIKeyFPTXVUURCYXEQY-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.24
Rot. Bonds3

About 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenol

4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenol (PubChem CID 63851274) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenol
PubChem CID63851274
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenol
SMILESOc1ccc(Cc2nc(C3CC3)no2)cc1
InChIInChI=1S/C12H12N2O2/c15-10-5-1-8(2-6-10)7-11-13-12(14-16-11)9-3-4-9/h1-2,5-6,9,15H,3-4,7H2
InChIKeyFPTXVUURCYXEQY-UHFFFAOYSA-N
XLogP2.24
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 55258328
5-[(4-fluorophenyl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63015400
3-cyclopropyl-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1,2,4-oxadiazole
CID 146512137
3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 65334211
4-[[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 79665065
4-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 97444140
3-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 65329458
5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 115079120
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 62536508
O-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]hydroxylamine
CID 79427579
3-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 65345651
4-[5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136889527

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenol?
The IUPAC name of 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenol (CID 63851274) is 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenol.
What is the SMILES notation for 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenol?
The canonical SMILES for 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenol is Oc1ccc(Cc2nc(C3CC3)no2)cc1.
What is the InChIKey of 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenol?
The InChIKey is FPTXVUURCYXEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-10-5-1-8(2-6-10)7-11-13-12(14-16-11)9-3-4-9/h1-2,5-6,9,15H,3-4,7H2.
What are the key properties of 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenol?
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenol has a molecular weight of 216.24 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenol is sourced from PubChem (CID 63851274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).