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

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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).