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

C24H27N3O2 — CID 21078778

IUPACN-(3-methylcyclohexyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NC4CCCC(C)C4)cc3)c2)o1
InChIInChI=1S/C24H27N3O2/c1-15-5-4-6-21(13-15)25-23(28)19-11-9-18(10-12-19)22-14-20(8-7-16(22)2)24-27-26-17(3)29-24/h7-12,14-15,21H,4-6,13H2,1-3H3,(H,25,28)
InChIKeyBPMVTVJBRBWNOG-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.33
Rot. Bonds4

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

N-(3-methylcyclohexyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (PubChem CID 21078778) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-(3-methylcyclohexyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-(3-methylcyclohexyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
PubChem CID21078778
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-(3-methylcyclohexyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NC4CCCC(C)C4)cc3)c2)o1
InChIInChI=1S/C24H27N3O2/c1-15-5-4-6-21(13-15)25-23(28)19-11-9-18(10-12-19)22-14-20(8-7-16(22)2)24-27-26-17(3)29-24/h7-12,14-15,21H,4-6,13H2,1-3H3,(H,25,28)
InChIKeyBPMVTVJBRBWNOG-UHFFFAOYSA-N
XLogP5.33
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclohexyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The IUPAC name of N-(3-methylcyclohexyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (CID 21078778) is N-(3-methylcyclohexyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for N-(3-methylcyclohexyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The canonical SMILES for N-(3-methylcyclohexyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NC4CCCC(C)C4)cc3)c2)o1.
What is the InChIKey of N-(3-methylcyclohexyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The InChIKey is BPMVTVJBRBWNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-15-5-4-6-21(13-15)25-23(28)19-11-9-18(10-12-19)22-14-20(8-7-16(22)2)24-27-26-17(3)29-24/h7-12,14-15,21H,4-6,13H2,1-3H3,(H,25,28).
What are the key properties of N-(3-methylcyclohexyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
N-(3-methylcyclohexyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide has a molecular weight of 389.50 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohexyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 21078778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).