N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide

C21H24N4O2 — CID 120868474

IUPACN-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide
SMILESCNC(C)Cc1noc(C(Cc2ccccc2)NC(=O)c2ccccc2)n1
InChIInChI=1S/C21H24N4O2/c1-15(22-2)13-19-24-21(27-25-19)18(14-16-9-5-3-6-10-16)23-20(26)17-11-7-4-8-12-17/h3-12,15,18,22H,13-14H2,1-2H3,(H,23,26)
InChIKeyMXIVJXWVGLFPKQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.93
Rot. Bonds8

About N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide

N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide (PubChem CID 120868474) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide.

Molecular Properties

Compound NameN-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide
PubChem CID120868474
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide
SMILESCNC(C)Cc1noc(C(Cc2ccccc2)NC(=O)c2ccccc2)n1
InChIInChI=1S/C21H24N4O2/c1-15(22-2)13-19-24-21(27-25-19)18(14-16-9-5-3-6-10-16)23-20(26)17-11-7-4-8-12-17/h3-12,15,18,22H,13-14H2,1-2H3,(H,23,26)
InChIKeyMXIVJXWVGLFPKQ-UHFFFAOYSA-N
XLogP2.93
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide
CID 120866059
N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]furan-2-carboxamide
CID 120868514
4-methoxy-N-[2-methyl-1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]propyl]benzamide;hydrochloride
CID 120865524
1-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-methylpropan-2-amine;hydrochloride
CID 120866958
N-benzyl-5-[(1R)-1-(methylamino)-2-phenylethyl]-1,2,4-oxadiazole-3-carboxamide
CID 54318633
N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-4-(trifluoromethyl)benzamide
CID 93117435
4-methyl-N-[(1S)-2-phenyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 98695111
N-methyl-1-[5-[methylsulfanyl(phenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120869477
N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 9186004
N-methyl-1-[5-(1-phenylsulfanylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120868307
5-bromo-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-carboxamide;hydrochloride
CID 120868079
N-[(1S)-1-[3-(4-acetylphenyl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]benzamide
CID 122581632

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide?
The IUPAC name of N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide (CID 120868474) is N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide.
What is the SMILES notation for N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide?
The canonical SMILES for N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide is CNC(C)Cc1noc(C(Cc2ccccc2)NC(=O)c2ccccc2)n1.
What is the InChIKey of N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide?
The InChIKey is MXIVJXWVGLFPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15(22-2)13-19-24-21(27-25-19)18(14-16-9-5-3-6-10-16)23-20(26)17-11-7-4-8-12-17/h3-12,15,18,22H,13-14H2,1-2H3,(H,23,26).
What are the key properties of N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide?
N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide has a molecular weight of 364.45 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide is sourced from PubChem (CID 120868474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).