N-methyl-1-[5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride

C19H30ClN5O — CID 120866934

IUPACN-methyl-1-[5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
SMILESCNC(C)Cc1noc(CCN2CCN(c3cccc(C)c3)CC2)n1.Cl
InChIInChI=1S/C19H29N5O.ClH/c1-15-5-4-6-17(13-15)24-11-9-23(10-12-24)8-7-19-21-18(22-25-19)14-16(2)20-3;/h4-6,13,16,20H,7-12,14H2,1-3H3;1H
InChIKeyUOZQEJSGVUWSHN-UHFFFAOYSA-N
MW379.94 g/mol
LogP2.31
Rot. Bonds7

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

N-methyl-1-[5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride (PubChem CID 120866934) has the molecular formula C19H30ClN5O and a molecular weight of 379.94 g/mol. Its IUPAC name is N-methyl-1-[5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
PubChem CID120866934
Molecular FormulaC19H30ClN5O
Molecular Weight379.94 g/mol
Exact Mass379.21
IUPAC NameN-methyl-1-[5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
SMILESCNC(C)Cc1noc(CCN2CCN(c3cccc(C)c3)CC2)n1.Cl
InChIInChI=1S/C19H29N5O.ClH/c1-15-5-4-6-17(13-15)24-11-9-23(10-12-24)8-7-19-21-18(22-25-19)14-16(2)20-3;/h4-6,13,16,20H,7-12,14H2,1-3H3;1H
InChIKeyUOZQEJSGVUWSHN-UHFFFAOYSA-N
XLogP2.31
TPSA57.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.94
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1,3-oxazole
CID 22762519
5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 134056304
1-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-methylpropan-2-amine;hydrochloride
CID 120866958
1-[5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120866815
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 35799420
4-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylbutan-1-amine
CID 60851356
2,6,8-trimethyl-3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pyrido[1,2-a]pyrimidin-4-one;dihydrochloride
CID 131710265
N-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-amine
CID 55135742
4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]aniline
CID 22751185
N-methyl-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63347445
3-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid;dihydrochloride
CID 43810604

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
The IUPAC name of N-methyl-1-[5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride (CID 120866934) is N-methyl-1-[5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-[5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
The canonical SMILES for N-methyl-1-[5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride is CNC(C)Cc1noc(CCN2CCN(c3cccc(C)c3)CC2)n1.Cl.
What is the InChIKey of N-methyl-1-[5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
The InChIKey is UOZQEJSGVUWSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O.ClH/c1-15-5-4-6-17(13-15)24-11-9-23(10-12-24)8-7-19-21-18(22-25-19)14-16(2)20-3;/h4-6,13,16,20H,7-12,14H2,1-3H3;1H.
What are the key properties of N-methyl-1-[5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
N-methyl-1-[5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride has a molecular weight of 379.94 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride is sourced from PubChem (CID 120866934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).