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

C18H19N3O2 — CID 171831830

IUPAC4-methoxy-N-methyl-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]aniline
SMILESCOc1ccc(N(C)Cc2ccc(-c3nnc(C)o3)cc2)cc1
InChIInChI=1S/C18H19N3O2/c1-13-19-20-18(23-13)15-6-4-14(5-7-15)12-21(2)16-8-10-17(22-3)11-9-16/h4-11H,12H2,1-3H3
InChIKeyCVRUKGJSZVCOME-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.69
Rot. Bonds5

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

4-methoxy-N-methyl-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]aniline (PubChem CID 171831830) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]aniline
PubChem CID171831830
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name4-methoxy-N-methyl-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]aniline
SMILESCOc1ccc(N(C)Cc2ccc(-c3nnc(C)o3)cc2)cc1
InChIInChI=1S/C18H19N3O2/c1-13-19-20-18(23-13)15-6-4-14(5-7-15)12-21(2)16-8-10-17(22-3)11-9-16/h4-11H,12H2,1-3H3
InChIKeyCVRUKGJSZVCOME-UHFFFAOYSA-N
XLogP3.69
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[(4-methoxy-N-methylanilino)methyl]-N-methylaniline
CID 115212693
1-(4-ethoxyphenyl)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine
CID 34689783
N-[4-[benzyl(methyl)amino]phenyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 60536185
2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 638609
4-[(4-methoxyphenyl)methyl-methylamino]benzoic acid
CID 39369991
N-benzyl-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxyaniline
CID 78826523
N-benzyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxyaniline
CID 55446419
N-[(4-methoxyphenyl)methyl]-N-[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 8770910
4-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 78823277
5-[(4-methoxy-N-methylanilino)methyl]-2-methylaniline
CID 62003414
(1S)-1-[5-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]ethanol
CID 83131957
4-[(4-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
CID 61417684

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]aniline?
The IUPAC name of 4-methoxy-N-methyl-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]aniline (CID 171831830) is 4-methoxy-N-methyl-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]aniline.
What is the SMILES notation for 4-methoxy-N-methyl-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]aniline?
The canonical SMILES for 4-methoxy-N-methyl-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]aniline is COc1ccc(N(C)Cc2ccc(-c3nnc(C)o3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-methyl-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]aniline?
The InChIKey is CVRUKGJSZVCOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-13-19-20-18(23-13)15-6-4-14(5-7-15)12-21(2)16-8-10-17(22-3)11-9-16/h4-11H,12H2,1-3H3.
What are the key properties of 4-methoxy-N-methyl-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]aniline?
4-methoxy-N-methyl-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]aniline has a molecular weight of 309.37 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]aniline is sourced from PubChem (CID 171831830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).