N-cyclohexyl-4-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylbenzamide

C25H30N4O4 — CID 55917739

IUPACN-cyclohexyl-4-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylbenzamide
SMILESCOc1ccc(-c2noc(CNc3ccc(C(=O)NC4CCCCC4)cc3C)n2)c(OC)c1
InChIInChI=1S/C25H30N4O4/c1-16-13-17(25(30)27-18-7-5-4-6-8-18)9-12-21(16)26-15-23-28-24(29-33-23)20-11-10-19(31-2)14-22(20)32-3/h9-14,18,26H,4-8,15H2,1-3H3,(H,27,30)
InChIKeyYLDSUBDQGDMGFQ-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.74
Rot. Bonds8

About N-cyclohexyl-4-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylbenzamide

N-cyclohexyl-4-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylbenzamide (PubChem CID 55917739) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-cyclohexyl-4-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylbenzamide
PubChem CID55917739
Molecular FormulaC25H30N4O4
Molecular Weight450.54 g/mol
Exact Mass450.23
IUPAC NameN-cyclohexyl-4-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylbenzamide
SMILESCOc1ccc(-c2noc(CNc3ccc(C(=O)NC4CCCCC4)cc3C)n2)c(OC)c1
InChIInChI=1S/C25H30N4O4/c1-16-13-17(25(30)27-18-7-5-4-6-8-18)9-12-21(16)26-15-23-28-24(29-33-23)20-11-10-19(31-2)14-22(20)32-3/h9-14,18,26H,4-8,15H2,1-3H3,(H,27,30)
InChIKeyYLDSUBDQGDMGFQ-UHFFFAOYSA-N
XLogP4.74
TPSA98.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclohexyl-3-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
CID 60539086
N-cyclohexyl-3-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 55918894
4-chloro-N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-5-methylaniline
CID 51202901
N-cyclopropyl-3-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-4-methylbenzamide
CID 60537287
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-ethylaniline
CID 51202915
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl cyclohexanecarboxylate
CID 9416190
3-N-cyclohexyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109052232
N-cycloheptyl-4-(ethylamino)-3-methylbenzamide
CID 63210563
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 51202784
N-cyclohexyl-4-[(3-ethoxy-4-methoxybenzoyl)amino]-3-methylbenzamide
CID 55879424
3-chloro-N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 99994482
N-cycloheptyl-6-(2,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109161067

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylbenzamide?
The IUPAC name of N-cyclohexyl-4-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylbenzamide (CID 55917739) is N-cyclohexyl-4-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylbenzamide.
What is the SMILES notation for N-cyclohexyl-4-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylbenzamide?
The canonical SMILES for N-cyclohexyl-4-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylbenzamide is COc1ccc(-c2noc(CNc3ccc(C(=O)NC4CCCCC4)cc3C)n2)c(OC)c1.
What is the InChIKey of N-cyclohexyl-4-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylbenzamide?
The InChIKey is YLDSUBDQGDMGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4/c1-16-13-17(25(30)27-18-7-5-4-6-8-18)9-12-21(16)26-15-23-28-24(29-33-23)20-11-10-19(31-2)14-22(20)32-3/h9-14,18,26H,4-8,15H2,1-3H3,(H,27,30).
What are the key properties of N-cyclohexyl-4-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylbenzamide?
N-cyclohexyl-4-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylbenzamide has a molecular weight of 450.54 g/mol, XLogP of 4.74, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylbenzamide is sourced from PubChem (CID 55917739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).