N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,4,6-trimethylaniline

C19H21N3O2 — CID 110652646

IUPACN-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,4,6-trimethylaniline
SMILESCOc1ccccc1-c1nnc(CNc2c(C)cc(C)cc2C)o1
InChIInChI=1S/C19H21N3O2/c1-12-9-13(2)18(14(3)10-12)20-11-17-21-22-19(24-17)15-7-5-6-8-16(15)23-4/h5-10,20H,11H2,1-4H3
InChIKeySZUFQCOTEAOYKX-UHFFFAOYSA-N
MW323.40 g/mol
LogP4.28
Rot. Bonds5

About N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,4,6-trimethylaniline

N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,4,6-trimethylaniline (PubChem CID 110652646) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,4,6-trimethylaniline
PubChem CID110652646
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,4,6-trimethylaniline
SMILESCOc1ccccc1-c1nnc(CNc2c(C)cc(C)cc2C)o1
InChIInChI=1S/C19H21N3O2/c1-12-9-13(2)18(14(3)10-12)20-11-17-21-22-19(24-17)15-7-5-6-8-16(15)23-4/h5-10,20H,11H2,1-4H3
InChIKeySZUFQCOTEAOYKX-UHFFFAOYSA-N
XLogP4.28
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,4-dimethylaniline
CID 110652635
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylaniline
CID 110652632
2-methoxy-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylaniline
CID 110652671
2-bromo-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylaniline
CID 94991608
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylphenyl)methanamine
CID 110652564
3-fluoro-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652698
4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzonitrile
CID 110652725
3-chloro-4-fluoro-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652660
2,4-dimethoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652051
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-piperidin-1-ylaniline
CID 110652691
N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2,4,6-trimethylaniline
CID 110653353
2-chloro-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110319996

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,4,6-trimethylaniline?
The IUPAC name of N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,4,6-trimethylaniline (CID 110652646) is N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,4,6-trimethylaniline.
What is the SMILES notation for N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,4,6-trimethylaniline?
The canonical SMILES for N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,4,6-trimethylaniline is COc1ccccc1-c1nnc(CNc2c(C)cc(C)cc2C)o1.
What is the InChIKey of N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,4,6-trimethylaniline?
The InChIKey is SZUFQCOTEAOYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-12-9-13(2)18(14(3)10-12)20-11-17-21-22-19(24-17)15-7-5-6-8-16(15)23-4/h5-10,20H,11H2,1-4H3.
What are the key properties of N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,4,6-trimethylaniline?
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,4,6-trimethylaniline has a molecular weight of 323.40 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,4,6-trimethylaniline is sourced from PubChem (CID 110652646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).