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

C17H16FN3O — CID 23723829

IUPAC1-(4-fluorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCN(Cc1ccc(F)cc1)Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C17H16FN3O/c1-21(11-13-7-9-15(18)10-8-13)12-16-19-17(20-22-16)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyFNGAWQYFFYDPNP-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.51
Rot. Bonds5

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

1-(4-fluorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine (PubChem CID 23723829) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
PubChem CID23723829
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name1-(4-fluorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCN(Cc1ccc(F)cc1)Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C17H16FN3O/c1-21(11-13-7-9-15(18)10-8-13)12-16-19-17(20-22-16)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyFNGAWQYFFYDPNP-UHFFFAOYSA-N
XLogP3.51
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 13738
Phenylmethyloxadiazole
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2,2,2-trichloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
CID 2231342
1-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine
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1-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-methylpiperidine
CID 2803673
2-(Benzyl{[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl}amino)ethanol
CID 16187225
(4-Fluorobenzyl)methyl{[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl}amine
CID 16189803
1-{[3-(2-Fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-3-methoxypiperidine
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N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]tetrahydro-2H-pyran-4-amine
CID 16190446
1-[3-(3-fluorobenzyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)methanamine
CID 16190830
N-{[3-(2-fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-2-(tetrahydro-2H-pyran-4-yl)ethanamine
CID 16192431

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine (CID 23723829) is 1-(4-fluorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine is CN(Cc1ccc(F)cc1)Cc1nc(-c2ccccc2)no1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The InChIKey is FNGAWQYFFYDPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-21(11-13-7-9-15(18)10-8-13)12-16-19-17(20-22-16)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
1-(4-fluorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine has a molecular weight of 297.33 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 23723829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).