4-methoxy-N-[2-methyl-1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]propyl]benzamide;hydrochloride

C18H27ClN4O3 — CID 120865524

IUPAC4-methoxy-N-[2-methyl-1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]propyl]benzamide;hydrochloride
SMILESCNC(C)Cc1noc(C(NC(=O)c2ccc(OC)cc2)C(C)C)n1.Cl
InChIInChI=1S/C18H26N4O3.ClH/c1-11(2)16(18-20-15(22-25-18)10-12(3)19-4)21-17(23)13-6-8-14(24-5)9-7-13;/h6-9,11-12,16,19H,10H2,1-5H3,(H,21,23);1H
InChIKeyVNKVZAIDINUTIL-UHFFFAOYSA-N
MW382.89 g/mol
LogP2.78
Rot. Bonds8

About 4-methoxy-N-[2-methyl-1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]propyl]benzamide;hydrochloride

4-methoxy-N-[2-methyl-1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]propyl]benzamide;hydrochloride (PubChem CID 120865524) has the molecular formula C18H27ClN4O3 and a molecular weight of 382.89 g/mol. Its IUPAC name is 4-methoxy-N-[2-methyl-1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-[2-methyl-1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]propyl]benzamide;hydrochloride
PubChem CID120865524
Molecular FormulaC18H27ClN4O3
Molecular Weight382.89 g/mol
Exact Mass382.18
IUPAC Name4-methoxy-N-[2-methyl-1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]propyl]benzamide;hydrochloride
SMILESCNC(C)Cc1noc(C(NC(=O)c2ccc(OC)cc2)C(C)C)n1.Cl
InChIInChI=1S/C18H26N4O3.ClH/c1-11(2)16(18-20-15(22-25-18)10-12(3)19-4)21-17(23)13-6-8-14(24-5)9-7-13;/h6-9,11-12,16,19H,10H2,1-5H3,(H,21,23);1H
InChIKeyVNKVZAIDINUTIL-UHFFFAOYSA-N
XLogP2.78
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methoxybenzamide
CID 120859450
4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 86938363
N-(4-methoxyphenyl)-3-[2-(methylamino)propyl]-1,2,4-oxadiazole-5-carboxamide
CID 120867431
N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide
CID 120868474
3,4-dichloro-N-[(1R)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide
CID 124848916
4-chloro-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide
CID 120866059
4-(aminomethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide;hydrochloride
CID 119273373
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]naphthalene-1-carboxamide
CID 118984652
4-ethoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 74613821
4-methoxy-N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]benzamide
CID 93117452
5-(4-bromophenyl)-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-1,2-oxazole-3-carboxamide
CID 110210584
2-bromo-N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide
CID 124712245

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-methyl-1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]propyl]benzamide;hydrochloride?
The IUPAC name of 4-methoxy-N-[2-methyl-1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]propyl]benzamide;hydrochloride (CID 120865524) is 4-methoxy-N-[2-methyl-1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]propyl]benzamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-[2-methyl-1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]propyl]benzamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-[2-methyl-1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]propyl]benzamide;hydrochloride is CNC(C)Cc1noc(C(NC(=O)c2ccc(OC)cc2)C(C)C)n1.Cl.
What is the InChIKey of 4-methoxy-N-[2-methyl-1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]propyl]benzamide;hydrochloride?
The InChIKey is VNKVZAIDINUTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3.ClH/c1-11(2)16(18-20-15(22-25-18)10-12(3)19-4)21-17(23)13-6-8-14(24-5)9-7-13;/h6-9,11-12,16,19H,10H2,1-5H3,(H,21,23);1H.
What are the key properties of 4-methoxy-N-[2-methyl-1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]propyl]benzamide;hydrochloride?
4-methoxy-N-[2-methyl-1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]propyl]benzamide;hydrochloride has a molecular weight of 382.89 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-methyl-1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]propyl]benzamide;hydrochloride is sourced from PubChem (CID 120865524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).