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

C18H20N4O2 — CID 110653589

IUPAC4-N,4-N-dimethyl-1-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]benzene-1,4-diamine
SMILESCN(C)c1ccc(NCc2nnc(COc3ccccc3)o2)cc1
InChIInChI=1S/C18H20N4O2/c1-22(2)15-10-8-14(9-11-15)19-12-17-20-21-18(24-17)13-23-16-6-4-3-5-7-16/h3-11,19H,12-13H2,1-2H3
InChIKeyZVMACCMRDMQIFC-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.33
Rot. Bonds7

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

4-N,4-N-dimethyl-1-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]benzene-1,4-diamine (PubChem CID 110653589) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]benzene-1,4-diamine
PubChem CID110653589
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name4-N,4-N-dimethyl-1-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]benzene-1,4-diamine
SMILESCN(C)c1ccc(NCc2nnc(COc3ccccc3)o2)cc1
InChIInChI=1S/C18H20N4O2/c1-22(2)15-10-8-14(9-11-15)19-12-17-20-21-18(24-17)13-23-16-6-4-3-5-7-16/h3-11,19H,12-13H2,1-2H3
InChIKeyZVMACCMRDMQIFC-UHFFFAOYSA-N
XLogP3.33
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone
CID 110653580
2-(phenoxymethyl)-5-[(4-phenoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 110656017
N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpropan-1-amine
CID 110653522
2,4-dichloro-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110653618
N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]prop-2-en-1-amine
CID 110653439
2-(phenoxymethyl)-5-[6-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]hexyl]-1,3,4-oxadiazole
CID 11259075
4-chloro-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(trifluoromethyl)aniline
CID 110653614
ethane;N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 143900206
2-[(3-chlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 110655988
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-phenoxyaniline
CID 110653037
2-[4-(dimethylamino)anilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 109010303
N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-4-bromoaniline
CID 110653370

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]benzene-1,4-diamine (CID 110653589) is 4-N,4-N-dimethyl-1-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]benzene-1,4-diamine is CN(C)c1ccc(NCc2nnc(COc3ccccc3)o2)cc1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]benzene-1,4-diamine?
The InChIKey is ZVMACCMRDMQIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-22(2)15-10-8-14(9-11-15)19-12-17-20-21-18(24-17)13-23-16-6-4-3-5-7-16/h3-11,19H,12-13H2,1-2H3.
What are the key properties of 4-N,4-N-dimethyl-1-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]benzene-1,4-diamine?
4-N,4-N-dimethyl-1-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]benzene-1,4-diamine has a molecular weight of 324.38 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]benzene-1,4-diamine is sourced from PubChem (CID 110653589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).