N,3-dimethyl-N-[2-[5-[4-(3-methylbutylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide

C25H30N4O3 — CID 50817998

IUPACN,3-dimethyl-N-[2-[5-[4-(3-methylbutylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide
SMILESCc1cccc(C(=O)N(C)CCc2noc(-c3ccc(C(=O)NCCC(C)C)cc3)n2)c1
InChIInChI=1S/C25H30N4O3/c1-17(2)12-14-26-23(30)19-8-10-20(11-9-19)24-27-22(28-32-24)13-15-29(4)25(31)21-7-5-6-18(3)16-21/h5-11,16-17H,12-15H2,1-4H3,(H,26,30)
InChIKeyUVGFKJMHQIOMSM-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.14
Rot. Bonds9

About N,3-dimethyl-N-[2-[5-[4-(3-methylbutylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide

N,3-dimethyl-N-[2-[5-[4-(3-methylbutylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide (PubChem CID 50817998) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N,3-dimethyl-N-[2-[5-[4-(3-methylbutylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[2-[5-[4-(3-methylbutylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide
PubChem CID50817998
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN,3-dimethyl-N-[2-[5-[4-(3-methylbutylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide
SMILESCc1cccc(C(=O)N(C)CCc2noc(-c3ccc(C(=O)NCCC(C)C)cc3)n2)c1
InChIInChI=1S/C25H30N4O3/c1-17(2)12-14-26-23(30)19-8-10-20(11-9-19)24-27-22(28-32-24)13-15-29(4)25(31)21-7-5-6-18(3)16-21/h5-11,16-17H,12-15H2,1-4H3,(H,26,30)
InChIKeyUVGFKJMHQIOMSM-UHFFFAOYSA-N
XLogP4.14
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,3-dimethyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 53055616
N-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N,3-dimethylbenzamide
CID 53055748
N,4-dimethyl-N-[2-[5-[4-[[(3R)-3-pyrrolidin-1-ylbutyl]carbamoyl]phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 92895190
4-[3-[2-[methyl-[(3-methylphenyl)carbamoyl]amino]ethyl]-1,2,4-oxadiazol-5-yl]-N-propylbenzamide
CID 50826859
N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 53055634
3-chloro-N-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzamide
CID 53055744
1-methyl-1-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-methylpropyl)urea
CID 53055195
N-[(4-methoxyphenyl)methyl]-4-[3-[2-[methyl-[(3-methylphenyl)carbamoyl]amino]ethyl]-1,2,4-oxadiazol-5-yl]benzamide
CID 50826821
5-bromo-N-methyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]furan-2-carboxamide
CID 53055702
N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3-dimethylbenzamide
CID 46290783
2-chloro-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 53055628
3-methyl-N-[2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]ethyl]benzamide
CID 110979411

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[2-[5-[4-(3-methylbutylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide?
The IUPAC name of N,3-dimethyl-N-[2-[5-[4-(3-methylbutylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide (CID 50817998) is N,3-dimethyl-N-[2-[5-[4-(3-methylbutylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide.
What is the SMILES notation for N,3-dimethyl-N-[2-[5-[4-(3-methylbutylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide?
The canonical SMILES for N,3-dimethyl-N-[2-[5-[4-(3-methylbutylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide is Cc1cccc(C(=O)N(C)CCc2noc(-c3ccc(C(=O)NCCC(C)C)cc3)n2)c1.
What is the InChIKey of N,3-dimethyl-N-[2-[5-[4-(3-methylbutylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide?
The InChIKey is UVGFKJMHQIOMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-17(2)12-14-26-23(30)19-8-10-20(11-9-19)24-27-22(28-32-24)13-15-29(4)25(31)21-7-5-6-18(3)16-21/h5-11,16-17H,12-15H2,1-4H3,(H,26,30).
What are the key properties of N,3-dimethyl-N-[2-[5-[4-(3-methylbutylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide?
N,3-dimethyl-N-[2-[5-[4-(3-methylbutylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide has a molecular weight of 434.54 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[2-[5-[4-(3-methylbutylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide is sourced from PubChem (CID 50817998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).