1-[5-(2-benzyl-2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

C20H27N3O — CID 120868372

IUPAC1-[5-(2-benzyl-2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(C2(Cc3ccccc3)CC3CCC2C3)n1
InChIInChI=1S/C20H27N3O/c1-14(21-2)10-18-22-19(24-23-18)20(12-15-6-4-3-5-7-15)13-16-8-9-17(20)11-16/h3-7,14,16-17,21H,8-13H2,1-2H3
InChIKeyMBVIWMXXPNALMD-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.52
Rot. Bonds6

About 1-[5-(2-benzyl-2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

1-[5-(2-benzyl-2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (PubChem CID 120868372) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-[5-(2-benzyl-2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(2-benzyl-2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
PubChem CID120868372
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name1-[5-(2-benzyl-2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(C2(Cc3ccccc3)CC3CCC2C3)n1
InChIInChI=1S/C20H27N3O/c1-14(21-2)10-18-22-19(24-23-18)20(12-15-6-4-3-5-7-15)13-16-8-9-17(20)11-16/h3-7,14,16-17,21H,8-13H2,1-2H3
InChIKeyMBVIWMXXPNALMD-UHFFFAOYSA-N
XLogP3.52
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-(2-benzyl-2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine with MolForge

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Related Compounds

1-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-methylpropan-2-amine;hydrochloride
CID 120866958
N-methyl-1-[5-[1-(2-methylphenyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120867807
1-[5-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866988
N-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine
CID 63521467
2-benzyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 132971237
1-[5-[1-(4-chlorophenyl)cyclopentyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120869326
N-methyl-1-phenylpropan-2-amine
CID 118309477
1-[5-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120865042
1-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride
CID 120868817
N-methyl-1-[5-(2-naphthalen-1-ylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120866577
1-[5-[4-(4-bromophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120867821
N-methyl-1-[5-[4-(4-methylphenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120868305

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-benzyl-2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-(2-benzyl-2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (CID 120868372) is 1-[5-(2-benzyl-2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-(2-benzyl-2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-(2-benzyl-2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is CNC(C)Cc1noc(C2(Cc3ccccc3)CC3CCC2C3)n1.
What is the InChIKey of 1-[5-(2-benzyl-2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The InChIKey is MBVIWMXXPNALMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-14(21-2)10-18-22-19(24-23-18)20(12-15-6-4-3-5-7-15)13-16-8-9-17(20)11-16/h3-7,14,16-17,21H,8-13H2,1-2H3.
What are the key properties of 1-[5-(2-benzyl-2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
1-[5-(2-benzyl-2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine has a molecular weight of 325.46 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-benzyl-2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 120868372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).