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

C18H19N3O2 — CID 8760893

IUPAC1-(4-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
SMILESCOc1ccc(CN(C)Cc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C18H19N3O2/c1-21(12-14-8-10-16(22-2)11-9-14)13-17-19-20-18(23-17)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
InChIKeySBWWLEZLQUHHTD-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.38
Rot. Bonds6

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

1-(4-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine (PubChem CID 8760893) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
PubChem CID8760893
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-(4-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
SMILESCOc1ccc(CN(C)Cc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C18H19N3O2/c1-21(12-14-8-10-16(22-2)11-9-14)13-17-19-20-18(23-17)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
InChIKeySBWWLEZLQUHHTD-UHFFFAOYSA-N
XLogP3.38
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine (CID 8760893) is 1-(4-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine is COc1ccc(CN(C)Cc2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The InChIKey is SBWWLEZLQUHHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-21(12-14-8-10-16(22-2)11-9-14)13-17-19-20-18(23-17)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
1-(4-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine has a molecular weight of 309.37 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 8760893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).