5-[2-(2,3-dimethylphenoxy)propan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole

C17H22N2O3 — CID 72899686

IUPAC5-[2-(2,3-dimethylphenoxy)propan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESCc1cccc(OC(C)(C)c2nc(C3CCOC3)no2)c1C
InChIInChI=1S/C17H22N2O3/c1-11-6-5-7-14(12(11)2)21-17(3,4)16-18-15(19-22-16)13-8-9-20-10-13/h5-7,13H,8-10H2,1-4H3
InChIKeyOHQTUUNYYWESGP-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.50
Rot. Bonds4

About 5-[2-(2,3-dimethylphenoxy)propan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole

5-[2-(2,3-dimethylphenoxy)propan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole (PubChem CID 72899686) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 5-[2-(2,3-dimethylphenoxy)propan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(2,3-dimethylphenoxy)propan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
PubChem CID72899686
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name5-[2-(2,3-dimethylphenoxy)propan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESCc1cccc(OC(C)(C)c2nc(C3CCOC3)no2)c1C
InChIInChI=1S/C17H22N2O3/c1-11-6-5-7-14(12(11)2)21-17(3,4)16-18-15(19-22-16)13-8-9-20-10-13/h5-7,13H,8-10H2,1-4H3
InChIKeyOHQTUUNYYWESGP-UHFFFAOYSA-N
XLogP3.50
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[2-(2,3-dimethylphenoxy)propan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole 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-[2-(3-methylphenoxy)propan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72869096
5-[2-(2,3-dihydro-1H-inden-5-yloxy)propan-2-yl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97437812
5-(2-chloro-6-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72877745
5-(2,3-dimethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72911925
2-methoxy-6-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol
CID 136678825
3-[(3R)-oxolan-3-yl]-5-[(2,3,6-trimethylphenoxy)methyl]-1,2,4-oxadiazole
CID 97455544
1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 65328987
5-(5-fluoro-2-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72916243
3-[(3S)-oxolan-3-yl]-5-(2,4,6-trimethylphenyl)-1,2,4-oxadiazole
CID 97436766
3-(oxolan-3-yl)-5-(2,4,5-trimethylphenyl)-1,2,4-oxadiazole
CID 72939607
5-(1,3-dimethylindol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97437031
5-(3-methyl-1H-indol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 136903584

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,3-dimethylphenoxy)propan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(2,3-dimethylphenoxy)propan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole (CID 72899686) is 5-[2-(2,3-dimethylphenoxy)propan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(2,3-dimethylphenoxy)propan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(2,3-dimethylphenoxy)propan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole is Cc1cccc(OC(C)(C)c2nc(C3CCOC3)no2)c1C.
What is the InChIKey of 5-[2-(2,3-dimethylphenoxy)propan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The InChIKey is OHQTUUNYYWESGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-11-6-5-7-14(12(11)2)21-17(3,4)16-18-15(19-22-16)13-8-9-20-10-13/h5-7,13H,8-10H2,1-4H3.
What are the key properties of 5-[2-(2,3-dimethylphenoxy)propan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
5-[2-(2,3-dimethylphenoxy)propan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole has a molecular weight of 302.37 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,3-dimethylphenoxy)propan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 72899686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).