5-cyano-2-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide

C20H18N4O2 — CID 146152193

IUPAC5-cyano-2-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
SMILESCc1ccc(C#N)cc1C(=O)NCC(C)c1nc(-c2ccccc2)no1
InChIInChI=1S/C20H18N4O2/c1-13-8-9-15(11-21)10-17(13)19(25)22-12-14(2)20-23-18(24-26-20)16-6-4-3-5-7-16/h3-10,14H,12H2,1-2H3,(H,22,25)
InChIKeyNZQRHMPQZVRIIW-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.45
Rot. Bonds5

About 5-cyano-2-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide

5-cyano-2-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide (PubChem CID 146152193) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 5-cyano-2-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide.

Molecular Properties

Compound Name5-cyano-2-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
PubChem CID146152193
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name5-cyano-2-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
SMILESCc1ccc(C#N)cc1C(=O)NCC(C)c1nc(-c2ccccc2)no1
InChIInChI=1S/C20H18N4O2/c1-13-8-9-15(11-21)10-17(13)19(25)22-12-14(2)20-23-18(24-26-20)16-6-4-3-5-7-16/h3-10,14H,12H2,1-2H3,(H,22,25)
InChIKeyNZQRHMPQZVRIIW-UHFFFAOYSA-N
XLogP3.45
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 146123390
2-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide
CID 146127465
5-chloro-2-fluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 146123379
3-fluoro-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide
CID 97098367
4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 97074910
2-(ethylamino)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 166250559
1,2-dimethyl-3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]guanidine
CID 97068058
2-(4-methylpiperazin-1-yl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide
CID 167962986
3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 103827436
2,4,5-trimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 100711700
2-methyl-N-[3-oxo-3-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propyl]benzamide
CID 46446055
3-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 17101235

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide?
The IUPAC name of 5-cyano-2-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide (CID 146152193) is 5-cyano-2-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide.
What is the SMILES notation for 5-cyano-2-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide?
The canonical SMILES for 5-cyano-2-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide is Cc1ccc(C#N)cc1C(=O)NCC(C)c1nc(-c2ccccc2)no1.
What is the InChIKey of 5-cyano-2-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide?
The InChIKey is NZQRHMPQZVRIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13-8-9-15(11-21)10-17(13)19(25)22-12-14(2)20-23-18(24-26-20)16-6-4-3-5-7-16/h3-10,14H,12H2,1-2H3,(H,22,25).
What are the key properties of 5-cyano-2-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide?
5-cyano-2-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide has a molecular weight of 346.39 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide is sourced from PubChem (CID 146152193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).