1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propan-2-ol

C17H16N2O3 — CID 71294649

IUPAC1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propan-2-ol
SMILESCC(O)COc1ccc(-c2noc(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H16N2O3/c1-12(20)11-21-15-9-7-13(8-10-15)16-18-17(22-19-16)14-5-3-2-4-6-14/h2-10,12,20H,11H2,1H3
InChIKeySOORNISBJCKGRB-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.16
Rot. Bonds5

About 1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propan-2-ol

1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propan-2-ol (PubChem CID 71294649) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propan-2-ol
PubChem CID71294649
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propan-2-ol
SMILESCC(O)COc1ccc(-c2noc(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H16N2O3/c1-12(20)11-21-15-9-7-13(8-10-15)16-18-17(22-19-16)14-5-3-2-4-6-14/h2-10,12,20H,11H2,1H3
InChIKeySOORNISBJCKGRB-UHFFFAOYSA-N
XLogP3.16
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266757
N-(2-methylphenyl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266748
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 39818945
2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide
CID 39818952
(Z)-3-fluoro-2-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
CID 162369020
5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867105
5-(4-methylphenyl)-3-[4-[(2-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 46044094
ethane;1-phenoxypropan-2-ol
CID 90926921
N-[(4-methoxyphenyl)methyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25238050
1-morpholin-4-yl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone
CID 46266743
2-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-phenylethanone
CID 83284781
N-(2-methylphenyl)-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237779

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propan-2-ol?
The IUPAC name of 1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propan-2-ol (CID 71294649) is 1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propan-2-ol?
The canonical SMILES for 1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propan-2-ol is CC(O)COc1ccc(-c2noc(-c3ccccc3)n2)cc1.
What is the InChIKey of 1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propan-2-ol?
The InChIKey is SOORNISBJCKGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-12(20)11-21-15-9-7-13(8-10-15)16-18-17(22-19-16)14-5-3-2-4-6-14/h2-10,12,20H,11H2,1H3.
What are the key properties of 1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propan-2-ol?
1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propan-2-ol has a molecular weight of 296.33 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 71294649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).