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

C18H20N4O — CID 47085842

IUPAC2-N-benzyl-2-N-methyl-1-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzene-1,2-diamine
SMILESCc1noc(CNc2ccccc2N(C)Cc2ccccc2)n1
InChIInChI=1S/C18H20N4O/c1-14-20-18(23-21-14)12-19-16-10-6-7-11-17(16)22(2)13-15-8-4-3-5-9-15/h3-11,19H,12-13H2,1-2H3
InChIKeyYCEVBFYIPDWJJI-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.63
Rot. Bonds6

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

2-N-benzyl-2-N-methyl-1-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzene-1,2-diamine (PubChem CID 47085842) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-N-benzyl-2-N-methyl-1-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-benzyl-2-N-methyl-1-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzene-1,2-diamine
PubChem CID47085842
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name2-N-benzyl-2-N-methyl-1-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzene-1,2-diamine
SMILESCc1noc(CNc2ccccc2N(C)Cc2ccccc2)n1
InChIInChI=1S/C18H20N4O/c1-14-20-18(23-21-14)12-19-16-10-6-7-11-17(16)22(2)13-15-8-4-3-5-9-15/h3-11,19H,12-13H2,1-2H3
InChIKeyYCEVBFYIPDWJJI-UHFFFAOYSA-N
XLogP3.63
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-N-benzyl-2-N-methyl-1-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide
CID 61014343
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylpropan-2-amine
CID 114991150
1-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-N-methyl-2-N-phenylbenzene-1,2-diamine
CID 55897271
6-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine
CID 61015260
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one
CID 31984142
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-6-methylsulfanylbenzonitrile
CID 113385548
[4-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanol
CID 110929576
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylsulfonylaniline
CID 43074571
2-[2-[benzyl(methyl)amino]anilino]-N-(methylcarbamoyl)acetamide
CID 51098899
ethyl 2-amino-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzoate
CID 115545666
3-bromo-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzoic acid
CID 82800768
N-benzyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43280656

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-2-N-methyl-1-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzene-1,2-diamine?
The IUPAC name of 2-N-benzyl-2-N-methyl-1-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzene-1,2-diamine (CID 47085842) is 2-N-benzyl-2-N-methyl-1-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-benzyl-2-N-methyl-1-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzene-1,2-diamine?
The canonical SMILES for 2-N-benzyl-2-N-methyl-1-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzene-1,2-diamine is Cc1noc(CNc2ccccc2N(C)Cc2ccccc2)n1.
What is the InChIKey of 2-N-benzyl-2-N-methyl-1-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzene-1,2-diamine?
The InChIKey is YCEVBFYIPDWJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-14-20-18(23-21-14)12-19-16-10-6-7-11-17(16)22(2)13-15-8-4-3-5-9-15/h3-11,19H,12-13H2,1-2H3.
What are the key properties of 2-N-benzyl-2-N-methyl-1-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzene-1,2-diamine?
2-N-benzyl-2-N-methyl-1-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzene-1,2-diamine has a molecular weight of 308.39 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-2-N-methyl-1-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 47085842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).