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

C18H19N3O — CID 50769325

IUPACN,N-dimethyl-4-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline
SMILESCc1ccc(Cc2nc(-c3ccc(N(C)C)cc3)no2)cc1
InChIInChI=1S/C18H19N3O/c1-13-4-6-14(7-5-13)12-17-19-18(20-22-17)15-8-10-16(11-9-15)21(2)3/h4-11H,12H2,1-3H3
InChIKeyGZQXJLXUGHXFGP-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.70
Rot. Bonds4

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

N,N-dimethyl-4-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline (PubChem CID 50769325) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N,N-dimethyl-4-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline
PubChem CID50769325
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN,N-dimethyl-4-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline
SMILESCc1ccc(Cc2nc(-c3ccc(N(C)C)cc3)no2)cc1
InChIInChI=1S/C18H19N3O/c1-13-4-6-14(7-5-13)12-17-19-18(20-22-17)15-8-10-16(11-9-15)21(2)3/h4-11H,12H2,1-3H3
InChIKeyGZQXJLXUGHXFGP-UHFFFAOYSA-N
XLogP3.70
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-methylphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 895193
3-(4-methylphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
CID 8895143
5-[(4-methylphenyl)methyl]-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
CID 53035927
5-benzyl-3-phenyl-1,2,4-oxadiazole
CID 752274
5-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 888655
3-(4-methoxyphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
CID 8895154
3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 6459156
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzamide
CID 83283246
5-[(4-methylphenyl)methyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
CID 53075221
3-(4-bromophenyl)-5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazole
CID 926666
N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide
CID 53278268
5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-amine
CID 63692412

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline (CID 50769325) is N,N-dimethyl-4-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline is Cc1ccc(Cc2nc(-c3ccc(N(C)C)cc3)no2)cc1.
What is the InChIKey of N,N-dimethyl-4-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline?
The InChIKey is GZQXJLXUGHXFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13-4-6-14(7-5-13)12-17-19-18(20-22-17)15-8-10-16(11-9-15)21(2)3/h4-11H,12H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline?
N,N-dimethyl-4-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline has a molecular weight of 293.37 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline is sourced from PubChem (CID 50769325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).