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

C21H25N3O2 — CID 78823277

IUPAC4-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline
SMILESCOc1ccc(N(Cc2ccc(C(C)C)cc2)Cc2nnc(C)o2)cc1
InChIInChI=1S/C21H25N3O2/c1-15(2)18-7-5-17(6-8-18)13-24(14-21-23-22-16(3)26-21)19-9-11-20(25-4)12-10-19/h5-12,15H,13-14H2,1-4H3
InChIKeySQTWYLABSQOTGJ-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.72
Rot. Bonds7

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

4-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline (PubChem CID 78823277) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline
PubChem CID78823277
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline
SMILESCOc1ccc(N(Cc2ccc(C(C)C)cc2)Cc2nnc(C)o2)cc1
InChIInChI=1S/C21H25N3O2/c1-15(2)18-7-5-17(6-8-18)13-24(14-21-23-22-16(3)26-21)19-9-11-20(25-4)12-10-19/h5-12,15H,13-14H2,1-4H3
InChIKeySQTWYLABSQOTGJ-UHFFFAOYSA-N
XLogP4.72
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.72
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

1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
2-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazole
CID 60627683
N-benzyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxyaniline
CID 55446419
N-benzyl-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxyaniline
CID 78826523
4-methoxy-N-methyl-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]aniline
CID 171831830
(3S)-3-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide
CID 25451977
1-(3,5-dimethoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 171702275
N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline
CID 138518716
4-[[4-methoxy-N-[(4-methoxyphenyl)methyl]anilino]methyl]benzamide
CID 12031517
4-iodo-N-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)aniline
CID 154621156
1-(3-chloro-4-methoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 126815454
N-benzyl-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652871

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline?
The IUPAC name of 4-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline (CID 78823277) is 4-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline.
What is the SMILES notation for 4-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline?
The canonical SMILES for 4-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline is COc1ccc(N(Cc2ccc(C(C)C)cc2)Cc2nnc(C)o2)cc1.
What is the InChIKey of 4-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline?
The InChIKey is SQTWYLABSQOTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15(2)18-7-5-17(6-8-18)13-24(14-21-23-22-16(3)26-21)19-9-11-20(25-4)12-10-19/h5-12,15H,13-14H2,1-4H3.
What are the key properties of 4-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline?
4-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline has a molecular weight of 351.45 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline is sourced from PubChem (CID 78823277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).