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

C18H18FN3O — CID 78824184

IUPAC1-(2-fluorophenyl)-N-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine
SMILESCc1cccc(-c2nnc(CN(C)Cc3ccccc3F)o2)c1
InChIInChI=1S/C18H18FN3O/c1-13-6-5-8-14(10-13)18-21-20-17(23-18)12-22(2)11-15-7-3-4-9-16(15)19/h3-10H,11-12H2,1-2H3
InChIKeyLVWPEHLJQNSZAO-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.82
Rot. Bonds5

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

1-(2-fluorophenyl)-N-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine (PubChem CID 78824184) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine
PubChem CID78824184
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name1-(2-fluorophenyl)-N-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine
SMILESCc1cccc(-c2nnc(CN(C)Cc3ccccc3F)o2)c1
InChIInChI=1S/C18H18FN3O/c1-13-6-5-8-14(10-13)18-21-20-17(23-18)12-22(2)11-15-7-3-4-9-16(15)19/h3-10H,11-12H2,1-2H3
InChIKeyLVWPEHLJQNSZAO-UHFFFAOYSA-N
XLogP3.82
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine?
The IUPAC name of 1-(2-fluorophenyl)-N-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine (CID 78824184) is 1-(2-fluorophenyl)-N-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine is Cc1cccc(-c2nnc(CN(C)Cc3ccccc3F)o2)c1.
What is the InChIKey of 1-(2-fluorophenyl)-N-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine?
The InChIKey is LVWPEHLJQNSZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-13-6-5-8-14(10-13)18-21-20-17(23-18)12-22(2)11-15-7-3-4-9-16(15)19/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine?
1-(2-fluorophenyl)-N-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine has a molecular weight of 311.36 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine is sourced from PubChem (CID 78824184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).