N-ethyl-3-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline

C19H21N3O — CID 110652102

IUPACN-ethyl-3-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
SMILESCCN(Cc1nnc(-c2ccccc2C)o1)c1cccc(C)c1
InChIInChI=1S/C19H21N3O/c1-4-22(16-10-7-8-14(2)12-16)13-18-20-21-19(23-18)17-11-6-5-9-15(17)3/h5-12H,4,13H2,1-3H3
InChIKeyLLSQLKZEZOVERW-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.38
Rot. Bonds5

About N-ethyl-3-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline

N-ethyl-3-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline (PubChem CID 110652102) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
PubChem CID110652102
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-ethyl-3-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
SMILESCCN(Cc1nnc(-c2ccccc2C)o1)c1cccc(C)c1
InChIInChI=1S/C19H21N3O/c1-4-22(16-10-7-8-14(2)12-16)13-18-20-21-19(23-18)17-11-6-5-9-15(17)3/h5-12H,4,13H2,1-3H3
InChIKeyLLSQLKZEZOVERW-UHFFFAOYSA-N
XLogP4.38
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline?
The IUPAC name of N-ethyl-3-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline (CID 110652102) is N-ethyl-3-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline.
What is the SMILES notation for N-ethyl-3-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline?
The canonical SMILES for N-ethyl-3-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline is CCN(Cc1nnc(-c2ccccc2C)o1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-3-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline?
The InChIKey is LLSQLKZEZOVERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-4-22(16-10-7-8-14(2)12-16)13-18-20-21-19(23-18)17-11-6-5-9-15(17)3/h5-12H,4,13H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline?
N-ethyl-3-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline has a molecular weight of 307.40 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline is sourced from PubChem (CID 110652102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).