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

C22H19N3O2 — CID 56549579

IUPACN-methyl-2-phenoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
SMILESCN(Cc1nnc(-c2ccccc2)o1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C22H19N3O2/c1-25(16-21-23-24-22(27-21)17-10-4-2-5-11-17)19-14-8-9-15-20(19)26-18-12-6-3-7-13-18/h2-15H,16H2,1H3
InChIKeySZMMWKUFBIZMCA-UHFFFAOYSA-N
MW357.41 g/mol
LogP5.17
Rot. Bonds6

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

N-methyl-2-phenoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline (PubChem CID 56549579) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-methyl-2-phenoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline.

Molecular Properties

Compound NameN-methyl-2-phenoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
PubChem CID56549579
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-methyl-2-phenoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
SMILESCN(Cc1nnc(-c2ccccc2)o1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C22H19N3O2/c1-25(16-21-23-24-22(27-21)17-10-4-2-5-11-17)19-14-8-9-15-20(19)26-18-12-6-3-7-13-18/h2-15H,16H2,1H3
InChIKeySZMMWKUFBIZMCA-UHFFFAOYSA-N
XLogP5.17
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.41
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 162418406
N,N-dimethyl-2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 34161725
2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
2-(2-phenoxyethyl)-5-phenyl-1,3,4-oxadiazole
CID 110656027
ethane;2-(methylsulfanylmethyl)-5-phenyl-1,3,4-oxadiazole
CID 178170665
1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 60589437
5-methoxy-2-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-pyridin-4-one
CID 91830555
2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000
N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-3-ylethanamine
CID 171907211
N-benzyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 2982833
(2S)-1-phenoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine
CID 95131861
2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]cyclohexan-1-ol
CID 102636527

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The IUPAC name of N-methyl-2-phenoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline (CID 56549579) is N-methyl-2-phenoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline.
What is the SMILES notation for N-methyl-2-phenoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The canonical SMILES for N-methyl-2-phenoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline is CN(Cc1nnc(-c2ccccc2)o1)c1ccccc1Oc1ccccc1.
What is the InChIKey of N-methyl-2-phenoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The InChIKey is SZMMWKUFBIZMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-25(16-21-23-24-22(27-21)17-10-4-2-5-11-17)19-14-8-9-15-20(19)26-18-12-6-3-7-13-18/h2-15H,16H2,1H3.
What are the key properties of N-methyl-2-phenoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
N-methyl-2-phenoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline has a molecular weight of 357.41 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline is sourced from PubChem (CID 56549579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).