acetonitrile;methoxymethane;3-methyl-5-phenyl-1,2,4-oxadiazole;(1S)-1-methyl-1,2,3,4-tetrahydronaphthalene

C24H31N3O2 — CID 123609721

IUPACacetonitrile;methoxymethane;3-methyl-5-phenyl-1,2,4-oxadiazole;(1S)-1-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCC#N.COC.C[C@H]1CCCc2ccccc21.Cc1noc(-c2ccccc2)n1
InChIInChI=1S/C11H14.C9H8N2O.C2H3N.C2H6O/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-7-10-9(12-11-7)8-5-3-2-4-6-8;1-2-3;1-3-2/h2-3,6,8-9H,4-5,7H2,1H3;2-6H,1H3;1H3;1-2H3/t9-;;;/m0.../s1
InChIKeyUPIRJEUOBHAKTJ-DXYFNVQQSA-N
MW393.53 g/mol
LogP5.96
Rot. Bonds1

About acetonitrile;methoxymethane;3-methyl-5-phenyl-1,2,4-oxadiazole;(1S)-1-methyl-1,2,3,4-tetrahydronaphthalene

acetonitrile;methoxymethane;3-methyl-5-phenyl-1,2,4-oxadiazole;(1S)-1-methyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 123609721) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is acetonitrile;methoxymethane;3-methyl-5-phenyl-1,2,4-oxadiazole;(1S)-1-methyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Nameacetonitrile;methoxymethane;3-methyl-5-phenyl-1,2,4-oxadiazole;(1S)-1-methyl-1,2,3,4-tetrahydronaphthalene
PubChem CID123609721
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Nameacetonitrile;methoxymethane;3-methyl-5-phenyl-1,2,4-oxadiazole;(1S)-1-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCC#N.COC.C[C@H]1CCCc2ccccc21.Cc1noc(-c2ccccc2)n1
InChIInChI=1S/C11H14.C9H8N2O.C2H3N.C2H6O/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-7-10-9(12-11-7)8-5-3-2-4-6-8;1-2-3;1-3-2/h2-3,6,8-9H,4-5,7H2,1H3;2-6H,1H3;1H3;1-2H3/t9-;;;/m0.../s1
InChIKeyUPIRJEUOBHAKTJ-DXYFNVQQSA-N
XLogP5.96
TPSA71.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze acetonitrile;methoxymethane;3-methyl-5-phenyl-1,2,4-oxadiazole;(1S)-1-methyl-1,2,3,4-tetrahydronaphthalene 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-methyl-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 91136063
ethane;5-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 91190032
5,7-dimethyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 123902879
(1S)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 95317200
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133334134
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 60976106
methane;2-methyloxane;2-methyloxolane;1-methyl-1,2,3,4-tetrahydronaphthalene
CID 159773776
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-5-phenyl-1,2,4-oxadiazol-3-amine
CID 154801224
1-methyl-5-phenyl-1,2,3,4-tetrahydronaphthalene
CID 91202286
5-[4-(cyclopropylmethoxy)phenyl]-3-methyl-1,2,4-oxadiazole
CID 91283745
3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,2-oxazole
CID 118654545
ethane;methylidenehydrazine;3-methyl-5-phenyl-1,2,4-oxadiazole;prop-1-ene
CID 143870015

Frequently Asked Questions

What is the IUPAC name of acetonitrile;methoxymethane;3-methyl-5-phenyl-1,2,4-oxadiazole;(1S)-1-methyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of acetonitrile;methoxymethane;3-methyl-5-phenyl-1,2,4-oxadiazole;(1S)-1-methyl-1,2,3,4-tetrahydronaphthalene (CID 123609721) is acetonitrile;methoxymethane;3-methyl-5-phenyl-1,2,4-oxadiazole;(1S)-1-methyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for acetonitrile;methoxymethane;3-methyl-5-phenyl-1,2,4-oxadiazole;(1S)-1-methyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for acetonitrile;methoxymethane;3-methyl-5-phenyl-1,2,4-oxadiazole;(1S)-1-methyl-1,2,3,4-tetrahydronaphthalene is CC#N.COC.C[C@H]1CCCc2ccccc21.Cc1noc(-c2ccccc2)n1.
What is the InChIKey of acetonitrile;methoxymethane;3-methyl-5-phenyl-1,2,4-oxadiazole;(1S)-1-methyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is UPIRJEUOBHAKTJ-DXYFNVQQSA-N. The full InChI is InChI=1S/C11H14.C9H8N2O.C2H3N.C2H6O/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-7-10-9(12-11-7)8-5-3-2-4-6-8;1-2-3;1-3-2/h2-3,6,8-9H,4-5,7H2,1H3;2-6H,1H3;1H3;1-2H3/t9-;;;/m0.../s1.
What are the key properties of acetonitrile;methoxymethane;3-methyl-5-phenyl-1,2,4-oxadiazole;(1S)-1-methyl-1,2,3,4-tetrahydronaphthalene?
acetonitrile;methoxymethane;3-methyl-5-phenyl-1,2,4-oxadiazole;(1S)-1-methyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 393.53 g/mol, XLogP of 5.96, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;methoxymethane;3-methyl-5-phenyl-1,2,4-oxadiazole;(1S)-1-methyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 123609721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).