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

C21H25N3O2 — CID 26510056

IUPAC1-(3-methoxyphenyl)-N-methyl-N-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
SMILESCOc1cccc(CN(C)Cc2nc(-c3ccc(C(C)C)cc3)no2)c1
InChIInChI=1S/C21H25N3O2/c1-15(2)17-8-10-18(11-9-17)21-22-20(26-23-21)14-24(3)13-16-6-5-7-19(12-16)25-4/h5-12,15H,13-14H2,1-4H3
InChIKeyVIUANCLYCOYORF-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.50
Rot. Bonds7

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

1-(3-methoxyphenyl)-N-methyl-N-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine (PubChem CID 26510056) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-methyl-N-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-methyl-N-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
PubChem CID26510056
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-(3-methoxyphenyl)-N-methyl-N-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
SMILESCOc1cccc(CN(C)Cc2nc(-c3ccc(C(C)C)cc3)no2)c1
InChIInChI=1S/C21H25N3O2/c1-15(2)17-8-10-18(11-9-17)21-22-20(26-23-21)14-24(3)13-16-6-5-7-19(12-16)25-4/h5-12,15H,13-14H2,1-4H3
InChIKeyVIUANCLYCOYORF-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3-methoxyphenyl)-N-methyl-N-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine with MolForge

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Related Compounds

3-(3-methoxyphenyl)-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 6461904
1-(3,4-dimethoxyphenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 9058292
1-(3,4-dichlorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 9251541
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanesulfonamide
CID 53278196
2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-propan-2-ylamino]acetamide
CID 86909866
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2-methoxyphenyl)-N-methylmethanamine
CID 26511243
N-ethyl-N-[(3-fluorophenyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55509879
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 95990367
1-(2-chloro-5-nitrophenyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 24682191
5-[(3-methoxyphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 3159105
3-(3-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 2989886

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-methyl-N-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The IUPAC name of 1-(3-methoxyphenyl)-N-methyl-N-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine (CID 26510056) is 1-(3-methoxyphenyl)-N-methyl-N-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-methyl-N-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-methyl-N-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine is COc1cccc(CN(C)Cc2nc(-c3ccc(C(C)C)cc3)no2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-methyl-N-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The InChIKey is VIUANCLYCOYORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15(2)17-8-10-18(11-9-17)21-22-20(26-23-21)14-24(3)13-16-6-5-7-19(12-16)25-4/h5-12,15H,13-14H2,1-4H3.
What are the key properties of 1-(3-methoxyphenyl)-N-methyl-N-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
1-(3-methoxyphenyl)-N-methyl-N-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine has a molecular weight of 351.45 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-methyl-N-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine is sourced from PubChem (CID 26510056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).