1-(2-chloro-6-fluorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine

C17H15ClFN3O — CID 9197057

IUPAC1-(2-chloro-6-fluorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
SMILESCN(Cc1nnc(-c2ccccc2)o1)Cc1c(F)cccc1Cl
InChIInChI=1S/C17H15ClFN3O/c1-22(10-13-14(18)8-5-9-15(13)19)11-16-20-21-17(23-16)12-6-3-2-4-7-12/h2-9H,10-11H2,1H3
InChIKeyHVMGRUDHPLFMRC-UHFFFAOYSA-N
MW331.78 g/mol
LogP4.16
Rot. Bonds5

About 1-(2-chloro-6-fluorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine

1-(2-chloro-6-fluorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine (PubChem CID 9197057) has the molecular formula C17H15ClFN3O and a molecular weight of 331.78 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
PubChem CID9197057
Molecular FormulaC17H15ClFN3O
Molecular Weight331.78 g/mol
Exact Mass331.09
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
SMILESCN(Cc1nnc(-c2ccccc2)o1)Cc1c(F)cccc1Cl
InChIInChI=1S/C17H15ClFN3O/c1-22(10-13-14(18)8-5-9-15(13)19)11-16-20-21-17(23-16)12-6-3-2-4-7-12/h2-9H,10-11H2,1H3
InChIKeyHVMGRUDHPLFMRC-UHFFFAOYSA-N
XLogP4.16
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine (CID 9197057) is 1-(2-chloro-6-fluorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine is CN(Cc1nnc(-c2ccccc2)o1)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The InChIKey is HVMGRUDHPLFMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O/c1-22(10-13-14(18)8-5-9-15(13)19)11-16-20-21-17(23-16)12-6-3-2-4-7-12/h2-9H,10-11H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
1-(2-chloro-6-fluorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine has a molecular weight of 331.78 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 9197057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).