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

C19H21N3O3 — CID 75378276

IUPAC1,1-bis(3-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
SMILESCOc1cccc(C(NCc2noc(C)n2)c2cccc(OC)c2)c1
InChIInChI=1S/C19H21N3O3/c1-13-21-18(22-25-13)12-20-19(14-6-4-8-16(10-14)23-2)15-7-5-9-17(11-15)24-3/h4-11,19-20H,12H2,1-3H3
InChIKeyVCECGIKPALFRRQ-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.27
Rot. Bonds7

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

1,1-bis(3-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine (PubChem CID 75378276) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1,1-bis(3-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1,1-bis(3-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
PubChem CID75378276
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name1,1-bis(3-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
SMILESCOc1cccc(C(NCc2noc(C)n2)c2cccc(OC)c2)c1
InChIInChI=1S/C19H21N3O3/c1-13-21-18(22-25-13)12-20-19(14-6-4-8-16(10-14)23-2)15-7-5-9-17(11-15)24-3/h4-11,19-20H,12H2,1-3H3
InChIKeyVCECGIKPALFRRQ-UHFFFAOYSA-N
XLogP3.27
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 84600843
N-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 60797781
1-(2-fluoro-6-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 84598501
(1S)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 107911783
7-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]isoquinolin-1-amine
CID 106402604
N-[(3,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-1-pyridin-3-ylmethanamine
CID 75514113
N-[1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methyl]ethanamine
CID 63019538
N-[(4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 43494797
1-(3,4-dichlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 113350417
3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-oxadiazole
CID 12762723
N-[(3-methoxyphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 66272903
1-(3-fluorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine
CID 114078701

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(3-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The IUPAC name of 1,1-bis(3-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine (CID 75378276) is 1,1-bis(3-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1,1-bis(3-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The canonical SMILES for 1,1-bis(3-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine is COc1cccc(C(NCc2noc(C)n2)c2cccc(OC)c2)c1.
What is the InChIKey of 1,1-bis(3-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The InChIKey is VCECGIKPALFRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13-21-18(22-25-13)12-20-19(14-6-4-8-16(10-14)23-2)15-7-5-9-17(11-15)24-3/h4-11,19-20H,12H2,1-3H3.
What are the key properties of 1,1-bis(3-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
1,1-bis(3-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine has a molecular weight of 339.40 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(3-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine is sourced from PubChem (CID 75378276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).