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

C18H19N3O — CID 110651725

IUPAC2-ethyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
SMILESCCc1ccccc1NCc1nnc(-c2ccc(C)cc2)o1
InChIInChI=1S/C18H19N3O/c1-3-14-6-4-5-7-16(14)19-12-17-20-21-18(22-17)15-10-8-13(2)9-11-15/h4-11,19H,3,12H2,1-2H3
InChIKeyZVARYZWUAQOIPW-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.22
Rot. Bonds5

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

2-ethyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline (PubChem CID 110651725) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-ethyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline.

Molecular Properties

Compound Name2-ethyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
PubChem CID110651725
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-ethyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
SMILESCCc1ccccc1NCc1nnc(-c2ccc(C)cc2)o1
InChIInChI=1S/C18H19N3O/c1-3-14-6-4-5-7-16(14)19-12-17-20-21-18(22-17)15-10-8-13(2)9-11-15/h4-11,19H,3,12H2,1-2H3
InChIKeyZVARYZWUAQOIPW-UHFFFAOYSA-N
XLogP4.22
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110651735
N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(trifluoromethyl)aniline
CID 110651760
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylaniline
CID 110652972
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-ethyl-6-methylaniline
CID 110652457
2-methoxy-5-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 18870594
2-bromo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 60683451
2-tert-butyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652461
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,4-dimethylaniline
CID 110652448
1-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 18870633
3,4-dimethyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110651721
methyl 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate
CID 78822546
N-[3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide
CID 110651765

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline?
The IUPAC name of 2-ethyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline (CID 110651725) is 2-ethyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline.
What is the SMILES notation for 2-ethyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline?
The canonical SMILES for 2-ethyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline is CCc1ccccc1NCc1nnc(-c2ccc(C)cc2)o1.
What is the InChIKey of 2-ethyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline?
The InChIKey is ZVARYZWUAQOIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-3-14-6-4-5-7-16(14)19-12-17-20-21-18(22-17)15-10-8-13(2)9-11-15/h4-11,19H,3,12H2,1-2H3.
What are the key properties of 2-ethyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline?
2-ethyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline has a molecular weight of 293.37 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline is sourced from PubChem (CID 110651725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).