N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dimethylaniline

C19H21N3O3 — CID 110653155

IUPACN-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dimethylaniline
SMILESCOc1ccc(-c2nnc(CNc3cc(C)cc(C)c3)o2)cc1OC
InChIInChI=1S/C19H21N3O3/c1-12-7-13(2)9-15(8-12)20-11-18-21-22-19(25-18)14-5-6-16(23-3)17(10-14)24-4/h5-10,20H,11H2,1-4H3
InChIKeyLJJUEELVMQTXJT-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.98
Rot. Bonds6

About N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dimethylaniline

N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dimethylaniline (PubChem CID 110653155) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dimethylaniline.

Molecular Properties

Compound NameN-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dimethylaniline
PubChem CID110653155
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dimethylaniline
SMILESCOc1ccc(-c2nnc(CNc3cc(C)cc(C)c3)o2)cc1OC
InChIInChI=1S/C19H21N3O3/c1-12-7-13(2)9-15(8-12)20-11-18-21-22-19(25-18)14-5-6-16(23-3)17(10-14)24-4/h5-10,20H,11H2,1-4H3
InChIKeyLJJUEELVMQTXJT-UHFFFAOYSA-N
XLogP3.98
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110653182
methyl 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate
CID 110653204
2-bromo-N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110653218
3,4-dimethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 18870590
5-chloro-N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylaniline
CID 110653175
N-[[5-(3-methoxy-4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62138706
3,4-dimethyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110651721
2-methoxy-5-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 18870594
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylaniline
CID 110652632
N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-phenylethanamine
CID 110653110
1-[5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 81284962
N-[[5-(3-fluoro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62921409

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dimethylaniline?
The IUPAC name of N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dimethylaniline (CID 110653155) is N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dimethylaniline.
What is the SMILES notation for N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dimethylaniline?
The canonical SMILES for N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dimethylaniline is COc1ccc(-c2nnc(CNc3cc(C)cc(C)c3)o2)cc1OC.
What is the InChIKey of N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dimethylaniline?
The InChIKey is LJJUEELVMQTXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12-7-13(2)9-15(8-12)20-11-18-21-22-19(25-18)14-5-6-16(23-3)17(10-14)24-4/h5-10,20H,11H2,1-4H3.
What are the key properties of N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dimethylaniline?
N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dimethylaniline has a molecular weight of 339.40 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dimethylaniline is sourced from PubChem (CID 110653155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).