N-[1-(2,2-dimethyl-5-phenyl-1,3,4-oxadiazol-3-yl)ethenyl]aniline

C18H19N3O — CID 59956652

IUPACN-[1-(2,2-dimethyl-5-phenyl-1,3,4-oxadiazol-3-yl)ethenyl]aniline
SMILESC=C(Nc1ccccc1)N1N=C(c2ccccc2)OC1(C)C
InChIInChI=1S/C18H19N3O/c1-14(19-16-12-8-5-9-13-16)21-18(2,3)22-17(20-21)15-10-6-4-7-11-15/h4-13,19H,1H2,2-3H3
InChIKeyXUBAFQKODFSREE-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.00
Rot. Bonds4

About N-[1-(2,2-dimethyl-5-phenyl-1,3,4-oxadiazol-3-yl)ethenyl]aniline

N-[1-(2,2-dimethyl-5-phenyl-1,3,4-oxadiazol-3-yl)ethenyl]aniline (PubChem CID 59956652) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[1-(2,2-dimethyl-5-phenyl-1,3,4-oxadiazol-3-yl)ethenyl]aniline.

Molecular Properties

Compound NameN-[1-(2,2-dimethyl-5-phenyl-1,3,4-oxadiazol-3-yl)ethenyl]aniline
PubChem CID59956652
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-[1-(2,2-dimethyl-5-phenyl-1,3,4-oxadiazol-3-yl)ethenyl]aniline
SMILESC=C(Nc1ccccc1)N1N=C(c2ccccc2)OC1(C)C
InChIInChI=1S/C18H19N3O/c1-14(19-16-12-8-5-9-13-16)21-18(2,3)22-17(20-21)15-10-6-4-7-11-15/h4-13,19H,1H2,2-3H3
InChIKeyXUBAFQKODFSREE-UHFFFAOYSA-N
XLogP4.00
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-dimethyl-5-phenyl-1,3,4-oxadiazol-3-yl)ethenyl]aniline?
The IUPAC name of N-[1-(2,2-dimethyl-5-phenyl-1,3,4-oxadiazol-3-yl)ethenyl]aniline (CID 59956652) is N-[1-(2,2-dimethyl-5-phenyl-1,3,4-oxadiazol-3-yl)ethenyl]aniline.
What is the SMILES notation for N-[1-(2,2-dimethyl-5-phenyl-1,3,4-oxadiazol-3-yl)ethenyl]aniline?
The canonical SMILES for N-[1-(2,2-dimethyl-5-phenyl-1,3,4-oxadiazol-3-yl)ethenyl]aniline is C=C(Nc1ccccc1)N1N=C(c2ccccc2)OC1(C)C.
What is the InChIKey of N-[1-(2,2-dimethyl-5-phenyl-1,3,4-oxadiazol-3-yl)ethenyl]aniline?
The InChIKey is XUBAFQKODFSREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-14(19-16-12-8-5-9-13-16)21-18(2,3)22-17(20-21)15-10-6-4-7-11-15/h4-13,19H,1H2,2-3H3.
What are the key properties of N-[1-(2,2-dimethyl-5-phenyl-1,3,4-oxadiazol-3-yl)ethenyl]aniline?
N-[1-(2,2-dimethyl-5-phenyl-1,3,4-oxadiazol-3-yl)ethenyl]aniline has a molecular weight of 293.37 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethyl-5-phenyl-1,3,4-oxadiazol-3-yl)ethenyl]aniline is sourced from PubChem (CID 59956652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).