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

C22H19N3O — CID 162418406

IUPACN-methyl-N-[[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
SMILESCN(Cc1nnc(-c2ccc(-c3ccccc3)cc2)o1)c1ccccc1
InChIInChI=1S/C22H19N3O/c1-25(20-10-6-3-7-11-20)16-21-23-24-22(26-21)19-14-12-18(13-15-19)17-8-4-2-5-9-17/h2-15H,16H2,1H3
InChIKeyCGRMGUOTRMXMAO-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.04
Rot. Bonds5

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

N-methyl-N-[[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline (PubChem CID 162418406) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is N-methyl-N-[[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline.

Molecular Properties

Compound NameN-methyl-N-[[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
PubChem CID162418406
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC NameN-methyl-N-[[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
SMILESCN(Cc1nnc(-c2ccc(-c3ccccc3)cc2)o1)c1ccccc1
InChIInChI=1S/C22H19N3O/c1-25(20-10-6-3-7-11-20)16-21-23-24-22(26-21)19-14-12-18(13-15-19)17-8-4-2-5-9-17/h2-15H,16H2,1H3
InChIKeyCGRMGUOTRMXMAO-UHFFFAOYSA-N
XLogP5.04
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 2982833
2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine;hydrochloride
CID 171326059
N-methyl-2-phenoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 56549579
(2R)-1-[N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]anilino]propan-2-ol
CID 94824043
N,N-dimethyl-2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 34161725
2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]cyclohexan-1-ol
CID 102636527
2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;N-methyl-N-phenylaniline;1-methyl-4-phenylbenzene;toluene
CID 157157668
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
CID 8802346
ethane;2-(methylsulfanylmethyl)-5-phenyl-1,3,4-oxadiazole
CID 178170665

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline?
The IUPAC name of N-methyl-N-[[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline (CID 162418406) is N-methyl-N-[[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline.
What is the SMILES notation for N-methyl-N-[[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline?
The canonical SMILES for N-methyl-N-[[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline is CN(Cc1nnc(-c2ccc(-c3ccccc3)cc2)o1)c1ccccc1.
What is the InChIKey of N-methyl-N-[[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline?
The InChIKey is CGRMGUOTRMXMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-25(20-10-6-3-7-11-20)16-21-23-24-22(26-21)19-14-12-18(13-15-19)17-8-4-2-5-9-17/h2-15H,16H2,1H3.
What are the key properties of N-methyl-N-[[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline?
N-methyl-N-[[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline has a molecular weight of 341.41 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline is sourced from PubChem (CID 162418406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).