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

C25H20N4O2 — CID 10158364

IUPACN-(3-cyanophenyl)-N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)N(C)c4cccc(C#N)c4)cc3)c2)o1
InChIInChI=1S/C25H20N4O2/c1-16-7-8-21(24-28-27-17(2)31-24)14-23(16)19-9-11-20(12-10-19)25(30)29(3)22-6-4-5-18(13-22)15-26/h4-14H,1-3H3
InChIKeySFNIRCCRPGVFOP-UHFFFAOYSA-N
MW408.46 g/mol
LogP5.17
Rot. Bonds4

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

N-(3-cyanophenyl)-N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (PubChem CID 10158364) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-(3-cyanophenyl)-N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
PubChem CID10158364
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC NameN-(3-cyanophenyl)-N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)N(C)c4cccc(C#N)c4)cc3)c2)o1
InChIInChI=1S/C25H20N4O2/c1-16-7-8-21(24-28-27-17(2)31-24)14-23(16)19-9-11-20(12-10-19)25(30)29(3)22-6-4-5-18(13-22)15-26/h4-14H,1-3H3
InChIKeySFNIRCCRPGVFOP-UHFFFAOYSA-N
XLogP5.17
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.46
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The IUPAC name of N-(3-cyanophenyl)-N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (CID 10158364) is N-(3-cyanophenyl)-N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for N-(3-cyanophenyl)-N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The canonical SMILES for N-(3-cyanophenyl)-N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)N(C)c4cccc(C#N)c4)cc3)c2)o1.
What is the InChIKey of N-(3-cyanophenyl)-N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The InChIKey is SFNIRCCRPGVFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c1-16-7-8-21(24-28-27-17(2)31-24)14-23(16)19-9-11-20(12-10-19)25(30)29(3)22-6-4-5-18(13-22)15-26/h4-14H,1-3H3.
What are the key properties of N-(3-cyanophenyl)-N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
N-(3-cyanophenyl)-N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide has a molecular weight of 408.46 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 10158364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).