N-methyl-1-[5-(2-naphthalen-1-ylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride

C19H22ClN3O — CID 120866577

IUPACN-methyl-1-[5-(2-naphthalen-1-ylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
SMILESCNC(C)Cc1noc(C2CC2c2cccc3ccccc23)n1.Cl
InChIInChI=1S/C19H21N3O.ClH/c1-12(20-2)10-18-21-19(23-22-18)17-11-16(17)15-9-5-7-13-6-3-4-8-14(13)15;/h3-9,12,16-17,20H,10-11H2,1-2H3;1H
InChIKeyGQEXREBRWXBXQQ-UHFFFAOYSA-N
MW343.86 g/mol
LogP4.07
Rot. Bonds5

About N-methyl-1-[5-(2-naphthalen-1-ylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride

N-methyl-1-[5-(2-naphthalen-1-ylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride (PubChem CID 120866577) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is N-methyl-1-[5-(2-naphthalen-1-ylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[5-(2-naphthalen-1-ylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
PubChem CID120866577
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC NameN-methyl-1-[5-(2-naphthalen-1-ylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
SMILESCNC(C)Cc1noc(C2CC2c2cccc3ccccc23)n1.Cl
InChIInChI=1S/C19H21N3O.ClH/c1-12(20-2)10-18-21-19(23-22-18)17-11-16(17)15-9-5-7-13-6-3-4-8-14(13)15;/h3-9,12,16-17,20H,10-11H2,1-2H3;1H
InChIKeyGQEXREBRWXBXQQ-UHFFFAOYSA-N
XLogP4.07
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[5-(2-naphthalen-1-ylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride 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

US11433053, Example 144
CID 146311171
US11433053, Example 171
CID 146789668
US11433053, Example 172
CID 146789669
US11433053, Example 158
CID 146866098
US11433053, Example 175
CID 147306765
US11433053, Example 167
CID 147306768
US11433053, Example 240
CID 148758089
US11433053, Example 225
CID 148758090
US11433053, Example 148
CID 148982770
US11433053, Example 214
CID 148982771
US11433053, Example 142
CID 149184068
US11433053, Example 209
CID 152849181

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2-naphthalen-1-ylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
The IUPAC name of N-methyl-1-[5-(2-naphthalen-1-ylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride (CID 120866577) is N-methyl-1-[5-(2-naphthalen-1-ylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-[5-(2-naphthalen-1-ylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
The canonical SMILES for N-methyl-1-[5-(2-naphthalen-1-ylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride is CNC(C)Cc1noc(C2CC2c2cccc3ccccc23)n1.Cl.
What is the InChIKey of N-methyl-1-[5-(2-naphthalen-1-ylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
The InChIKey is GQEXREBRWXBXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O.ClH/c1-12(20-2)10-18-21-19(23-22-18)17-11-16(17)15-9-5-7-13-6-3-4-8-14(13)15;/h3-9,12,16-17,20H,10-11H2,1-2H3;1H.
What are the key properties of N-methyl-1-[5-(2-naphthalen-1-ylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
N-methyl-1-[5-(2-naphthalen-1-ylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride has a molecular weight of 343.86 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2-naphthalen-1-ylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride is sourced from PubChem (CID 120866577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).