N,N-dimethyl-3-[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]aniline

C20H22N4O2 — CID 50769624

IUPACN,N-dimethyl-3-[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCN(C)c1cccc(-c2nc(-c3ccc(N4CCOCC4)cc3)no2)c1
InChIInChI=1S/C20H22N4O2/c1-23(2)18-5-3-4-16(14-18)20-21-19(22-26-20)15-6-8-17(9-7-15)24-10-12-25-13-11-24/h3-9,14H,10-13H2,1-2H3
InChIKeyYPFDKNWNYQJQQU-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.31
Rot. Bonds4

About N,N-dimethyl-3-[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]aniline

N,N-dimethyl-3-[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 50769624) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID50769624
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN,N-dimethyl-3-[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCN(C)c1cccc(-c2nc(-c3ccc(N4CCOCC4)cc3)no2)c1
InChIInChI=1S/C20H22N4O2/c1-23(2)18-5-3-4-16(14-18)20-21-19(22-26-20)15-6-8-17(9-7-15)24-10-12-25-13-11-24/h3-9,14H,10-13H2,1-2H3
InChIKeyYPFDKNWNYQJQQU-UHFFFAOYSA-N
XLogP3.31
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]morpholine
CID 50769427
[4-[5-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
CID 120893278
5-(3-fluorophenyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
CID 50769550
4-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline
CID 50769449
N,N-dimethyl-3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]aniline
CID 97433611
5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-amine;hydrochloride
CID 76848385
N,N-dimethyl-4-morpholin-4-ylaniline
CID 11264229
6-[5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one
CID 53065747
N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline
CID 59499419
ethane;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
CID 143910207
4-[4-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]morpholine
CID 50769553
6-[5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-yl]-1-ethyl-3-methylquinoxalin-2-one
CID 53065185

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of N,N-dimethyl-3-[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]aniline (CID 50769624) is N,N-dimethyl-3-[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for N,N-dimethyl-3-[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for N,N-dimethyl-3-[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]aniline is CN(C)c1cccc(-c2nc(-c3ccc(N4CCOCC4)cc3)no2)c1.
What is the InChIKey of N,N-dimethyl-3-[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is YPFDKNWNYQJQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-23(2)18-5-3-4-16(14-18)20-21-19(22-26-20)15-6-8-17(9-7-15)24-10-12-25-13-11-24/h3-9,14H,10-13H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]aniline?
N,N-dimethyl-3-[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 350.42 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 50769624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).