4-N,4-N-diethyl-1-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzene-1,4-diamine

C20H24N4O — CID 110652066

IUPAC4-N,4-N-diethyl-1-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzene-1,4-diamine
SMILESCCN(CC)c1ccc(NCc2nnc(-c3ccccc3C)o2)cc1
InChIInChI=1S/C20H24N4O/c1-4-24(5-2)17-12-10-16(11-13-17)21-14-19-22-23-20(25-19)18-9-7-6-8-15(18)3/h6-13,21H,4-5,14H2,1-3H3
InChIKeyGHHDUUCHSCJRHX-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.50
Rot. Bonds7

About 4-N,4-N-diethyl-1-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzene-1,4-diamine

4-N,4-N-diethyl-1-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzene-1,4-diamine (PubChem CID 110652066) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzene-1,4-diamine
PubChem CID110652066
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name4-N,4-N-diethyl-1-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzene-1,4-diamine
SMILESCCN(CC)c1ccc(NCc2nnc(-c3ccccc3C)o2)cc1
InChIInChI=1S/C20H24N4O/c1-4-24(5-2)17-12-10-16(11-13-17)21-14-19-22-23-20(25-19)18-9-7-6-8-15(18)3/h6-13,21H,4-5,14H2,1-3H3
InChIKeyGHHDUUCHSCJRHX-UHFFFAOYSA-N
XLogP4.50
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3,4-difluoro-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652105
2,6-difluoro-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652104
4-N,4-N-diethyl-1-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzene-1,4-diamine
CID 110653777
5-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2-oxazol-3-amine
CID 110652106
N-ethyl-3-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652102
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylaniline
CID 110652632
1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylurea
CID 110319278
3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 99635672
1-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone
CID 99633329
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-fluoroaniline
CID 110652178
2,4-dimethoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652051
2-(methoxymethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 53017493

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-1-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzene-1,4-diamine (CID 110652066) is 4-N,4-N-diethyl-1-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-1-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-1-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzene-1,4-diamine is CCN(CC)c1ccc(NCc2nnc(-c3ccccc3C)o2)cc1.
What is the InChIKey of 4-N,4-N-diethyl-1-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzene-1,4-diamine?
The InChIKey is GHHDUUCHSCJRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-4-24(5-2)17-12-10-16(11-13-17)21-14-19-22-23-20(25-19)18-9-7-6-8-15(18)3/h6-13,21H,4-5,14H2,1-3H3.
What are the key properties of 4-N,4-N-diethyl-1-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzene-1,4-diamine?
4-N,4-N-diethyl-1-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzene-1,4-diamine has a molecular weight of 336.44 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzene-1,4-diamine is sourced from PubChem (CID 110652066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).