3-(4-methylphenyl)-5-(3-phenoxypropyl)-1,2,4-oxadiazole

C18H18N2O2 — CID 2995458

IUPAC3-(4-methylphenyl)-5-(3-phenoxypropyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(CCCOc3ccccc3)n2)cc1
InChIInChI=1S/C18H18N2O2/c1-14-9-11-15(12-10-14)18-19-17(22-20-18)8-5-13-21-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13H2,1H3
InChIKeyRNGXTKPDHBEKPC-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.06
Rot. Bonds6

About 3-(4-methylphenyl)-5-(3-phenoxypropyl)-1,2,4-oxadiazole

3-(4-methylphenyl)-5-(3-phenoxypropyl)-1,2,4-oxadiazole (PubChem CID 2995458) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-(3-phenoxypropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-(3-phenoxypropyl)-1,2,4-oxadiazole
PubChem CID2995458
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3-(4-methylphenyl)-5-(3-phenoxypropyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(CCCOc3ccccc3)n2)cc1
InChIInChI=1S/C18H18N2O2/c1-14-9-11-15(12-10-14)18-19-17(22-20-18)8-5-13-21-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13H2,1H3
InChIKeyRNGXTKPDHBEKPC-UHFFFAOYSA-N
XLogP4.06
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(4-methylphenyl)-5-(3-phenoxypropyl)-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

3-(4-methylphenyl)-5-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 47007090
3-phenoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 110293659
5-pentyl-3-phenyl-1,2,4-oxadiazole
CID 19658049
N-[3-(3-methylphenoxy)propyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 24525020
3-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525276
3-(4-methylphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
CID 8895143
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(4-methylphenoxy)butyl]propanamide
CID 55751256
N,N-dimethyl-3-[4-[5-(2-phenoxyethylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-amine
CID 142831072
phenyl N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate
CID 110322864
5-[(3-methoxyphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 3159105
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-phenoxybutanamide
CID 8875186
5-[(4-ethylphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 806936

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-(3-phenoxypropyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methylphenyl)-5-(3-phenoxypropyl)-1,2,4-oxadiazole (CID 2995458) is 3-(4-methylphenyl)-5-(3-phenoxypropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methylphenyl)-5-(3-phenoxypropyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methylphenyl)-5-(3-phenoxypropyl)-1,2,4-oxadiazole is Cc1ccc(-c2noc(CCCOc3ccccc3)n2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-(3-phenoxypropyl)-1,2,4-oxadiazole?
The InChIKey is RNGXTKPDHBEKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-14-9-11-15(12-10-14)18-19-17(22-20-18)8-5-13-21-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13H2,1H3.
What are the key properties of 3-(4-methylphenyl)-5-(3-phenoxypropyl)-1,2,4-oxadiazole?
3-(4-methylphenyl)-5-(3-phenoxypropyl)-1,2,4-oxadiazole has a molecular weight of 294.35 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-(3-phenoxypropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2995458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).