1-[3-(2-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol

C19H18N2O3 — CID 99611202

IUPAC1-[3-(2-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol
SMILESOC1(c2nc(-c3ccccc3OCc3ccccc3)no2)CCC1
InChIInChI=1S/C19H18N2O3/c22-19(11-6-12-19)18-20-17(21-24-18)15-9-4-5-10-16(15)23-13-14-7-2-1-3-8-14/h1-5,7-10,22H,6,11-13H2
InChIKeyJFNYZFGZVFJHOO-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.69
Rot. Bonds5

About 1-[3-(2-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol

1-[3-(2-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol (PubChem CID 99611202) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-[3-(2-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[3-(2-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol
PubChem CID99611202
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name1-[3-(2-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol
SMILESOC1(c2nc(-c3ccccc3OCc3ccccc3)no2)CCC1
InChIInChI=1S/C19H18N2O3/c22-19(11-6-12-19)18-20-17(21-24-18)15-9-4-5-10-16(15)23-13-14-7-2-1-3-8-14/h1-5,7-10,22H,6,11-13H2
InChIKeyJFNYZFGZVFJHOO-UHFFFAOYSA-N
XLogP3.69
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(2-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(5-azaspiro[2.4]heptan-2-yl)-3-(2-phenylmethoxyphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120839818
3-[3-(2-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine;hydrochloride
CID 120839792
3-[2-(difluoromethoxy)phenyl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole
CID 126805804
3-(2-phenylmethoxyphenyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 120839849
3-(2-phenylmethoxyphenyl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 120839834
1-[5-[2-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860111
1-[5-[2-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860112
2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 82764126
3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 115532985
1-[5-[2-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851944
methyl 1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79734676
1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79846588

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol?
The IUPAC name of 1-[3-(2-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol (CID 99611202) is 1-[3-(2-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol.
What is the SMILES notation for 1-[3-(2-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol?
The canonical SMILES for 1-[3-(2-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol is OC1(c2nc(-c3ccccc3OCc3ccccc3)no2)CCC1.
What is the InChIKey of 1-[3-(2-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol?
The InChIKey is JFNYZFGZVFJHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-19(11-6-12-19)18-20-17(21-24-18)15-9-4-5-10-16(15)23-13-14-7-2-1-3-8-14/h1-5,7-10,22H,6,11-13H2.
What are the key properties of 1-[3-(2-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol?
1-[3-(2-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol has a molecular weight of 322.36 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol is sourced from PubChem (CID 99611202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).