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

C21H23ClN4O2 — CID 120866059

IUPAC4-chloro-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide
SMILESCNC(C)Cc1noc(C(Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C21H23ClN4O2/c1-14(23-2)12-19-25-21(28-26-19)18(13-15-6-4-3-5-7-15)24-20(27)16-8-10-17(22)11-9-16/h3-11,14,18,23H,12-13H2,1-2H3,(H,24,27)
InChIKeySZAJQWBKQGLAIU-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.59
Rot. Bonds8

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

4-chloro-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide (PubChem CID 120866059) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is 4-chloro-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide
PubChem CID120866059
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC Name4-chloro-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide
SMILESCNC(C)Cc1noc(C(Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C21H23ClN4O2/c1-14(23-2)12-19-25-21(28-26-19)18(13-15-6-4-3-5-7-15)24-20(27)16-8-10-17(22)11-9-16/h3-11,14,18,23H,12-13H2,1-2H3,(H,24,27)
InChIKeySZAJQWBKQGLAIU-UHFFFAOYSA-N
XLogP3.59
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide
CID 120868474
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-[1-(4-chlorophenyl)sulfanylethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120867338
N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-4-(trifluoromethyl)benzamide
CID 93117435
3,5-dichloro-2,4-dihydroxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylethyl]benzamide
CID 59901919
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-3-phenylprop-2-enamide
CID 171136494
(E)-N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-3-phenylprop-2-enamide
CID 97413897
4-chloro-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120866044
4-methyl-N-[(1S)-2-phenyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 98695111
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutyl]-4-methylbenzamide
CID 51064975
1-(4-chlorophenyl)-2-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]ethanone
CID 120866425

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide?
The IUPAC name of 4-chloro-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide (CID 120866059) is 4-chloro-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide?
The canonical SMILES for 4-chloro-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide is CNC(C)Cc1noc(C(Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-chloro-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide?
The InChIKey is SZAJQWBKQGLAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c1-14(23-2)12-19-25-21(28-26-19)18(13-15-6-4-3-5-7-15)24-20(27)16-8-10-17(22)11-9-16/h3-11,14,18,23H,12-13H2,1-2H3,(H,24,27).
What are the key properties of 4-chloro-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide?
4-chloro-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide has a molecular weight of 398.89 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide is sourced from PubChem (CID 120866059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).