N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide

C21H23N3O4 — CID 45493199

IUPACN-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(-c2noc(-c3ccccc3NC(=O)C(C)(C)C)n2)cc1OC
InChIInChI=1S/C21H23N3O4/c1-21(2,3)20(25)22-15-9-7-6-8-14(15)19-23-18(24-28-19)13-10-11-16(26-4)17(12-13)27-5/h6-12H,1-5H3,(H,22,25)
InChIKeyPOAOPJGSSUXYJH-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.41
Rot. Bonds5

About N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide

N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide (PubChem CID 45493199) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide
PubChem CID45493199
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(-c2noc(-c3ccccc3NC(=O)C(C)(C)C)n2)cc1OC
InChIInChI=1S/C21H23N3O4/c1-21(2,3)20(25)22-15-9-7-6-8-14(15)19-23-18(24-28-19)13-10-11-16(26-4)17(12-13)27-5/h6-12H,1-5H3,(H,22,25)
InChIKeyPOAOPJGSSUXYJH-UHFFFAOYSA-N
XLogP4.41
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 4900186
(E)-N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 30332465
3,4-dimethoxy-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330830
N-[2-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide;hydrochloride
CID 120893398
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propoxybenzamide
CID 30330604
2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide
CID 2016311
2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide
CID 30333251
2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzamide
CID 3159477
(2R)-2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866676
(2S)-2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866674
2-iodo-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 43903830
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylpropanamide
CID 6492223

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide (CID 45493199) is N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide is COc1ccc(-c2noc(-c3ccccc3NC(=O)C(C)(C)C)n2)cc1OC.
What is the InChIKey of N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is POAOPJGSSUXYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-21(2,3)20(25)22-15-9-7-6-8-14(15)19-23-18(24-28-19)13-10-11-16(26-4)17(12-13)27-5/h6-12H,1-5H3,(H,22,25).
What are the key properties of N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide?
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 381.43 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 45493199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).