4-[5-[2-(2-amino-2-oxoethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylbenzamide

C19H18N4O4 — CID 136543120

IUPAC4-[5-[2-(2-amino-2-oxoethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2noc(-c3ccccc3OCC(N)=O)n2)cc1
InChIInChI=1S/C19H18N4O4/c1-23(2)19(25)13-9-7-12(8-10-13)17-21-18(27-22-17)14-5-3-4-6-15(14)26-11-16(20)24/h3-10H,11H2,1-2H3,(H2,20,24)
InChIKeyFADVBVXPWUNHBR-UHFFFAOYSA-N
MW366.38 g/mol
LogP1.97
Rot. Bonds6

About 4-[5-[2-(2-amino-2-oxoethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylbenzamide

4-[5-[2-(2-amino-2-oxoethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylbenzamide (PubChem CID 136543120) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is 4-[5-[2-(2-amino-2-oxoethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[5-[2-(2-amino-2-oxoethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylbenzamide
PubChem CID136543120
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name4-[5-[2-(2-amino-2-oxoethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2noc(-c3ccccc3OCC(N)=O)n2)cc1
InChIInChI=1S/C19H18N4O4/c1-23(2)19(25)13-9-7-12(8-10-13)17-21-18(27-22-17)14-5-3-4-6-15(14)26-11-16(20)24/h3-10H,11H2,1-2H3,(H2,20,24)
InChIKeyFADVBVXPWUNHBR-UHFFFAOYSA-N
XLogP1.97
TPSA111.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746022
2-[4-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328496
4-[5-[2-[2-(dimethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]phenol
CID 135704072
4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747339
2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 120868586
5-(2-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 19658008
2-[4-[5-(2-nitrophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328455
N-(4-fluorophenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746047
N,N-dimethyl-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanamine
CID 3038472
2-[4-[5-(2,3-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328690
N-(2-ethoxyphenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746036
2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid
CID 23008204

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(2-amino-2-oxoethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[5-[2-(2-amino-2-oxoethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylbenzamide (CID 136543120) is 4-[5-[2-(2-amino-2-oxoethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[5-[2-(2-amino-2-oxoethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[5-[2-(2-amino-2-oxoethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2noc(-c3ccccc3OCC(N)=O)n2)cc1.
What is the InChIKey of 4-[5-[2-(2-amino-2-oxoethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylbenzamide?
The InChIKey is FADVBVXPWUNHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-23(2)19(25)13-9-7-12(8-10-13)17-21-18(27-22-17)14-5-3-4-6-15(14)26-11-16(20)24/h3-10H,11H2,1-2H3,(H2,20,24).
What are the key properties of 4-[5-[2-(2-amino-2-oxoethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylbenzamide?
4-[5-[2-(2-amino-2-oxoethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylbenzamide has a molecular weight of 366.38 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(2-amino-2-oxoethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 136543120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).