3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N-[(4-fluorophenyl)methyl]oxetan-3-amine

C17H22FN3O2 — CID 56775438

IUPAC3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N-[(4-fluorophenyl)methyl]oxetan-3-amine
SMILESCN(C)Cc1cc(CC2(NCc3ccc(F)cc3)COC2)no1
InChIInChI=1S/C17H22FN3O2/c1-21(2)10-16-7-15(20-23-16)8-17(11-22-12-17)19-9-13-3-5-14(18)6-4-13/h3-7,19H,8-12H2,1-2H3
InChIKeyRYOZBDPOYMKESG-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.98
Rot. Bonds7

About 3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N-[(4-fluorophenyl)methyl]oxetan-3-amine

3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N-[(4-fluorophenyl)methyl]oxetan-3-amine (PubChem CID 56775438) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N-[(4-fluorophenyl)methyl]oxetan-3-amine.

Molecular Properties

Compound Name3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N-[(4-fluorophenyl)methyl]oxetan-3-amine
PubChem CID56775438
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N-[(4-fluorophenyl)methyl]oxetan-3-amine
SMILESCN(C)Cc1cc(CC2(NCc3ccc(F)cc3)COC2)no1
InChIInChI=1S/C17H22FN3O2/c1-21(2)10-16-7-15(20-23-16)8-17(11-22-12-17)19-9-13-3-5-14(18)6-4-13/h3-7,19H,8-12H2,1-2H3
InChIKeyRYOZBDPOYMKESG-UHFFFAOYSA-N
XLogP1.98
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N-[(4-fluorophenyl)methyl]oxetan-3-amine?
The IUPAC name of 3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N-[(4-fluorophenyl)methyl]oxetan-3-amine (CID 56775438) is 3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N-[(4-fluorophenyl)methyl]oxetan-3-amine.
What is the SMILES notation for 3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N-[(4-fluorophenyl)methyl]oxetan-3-amine?
The canonical SMILES for 3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N-[(4-fluorophenyl)methyl]oxetan-3-amine is CN(C)Cc1cc(CC2(NCc3ccc(F)cc3)COC2)no1.
What is the InChIKey of 3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N-[(4-fluorophenyl)methyl]oxetan-3-amine?
The InChIKey is RYOZBDPOYMKESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-21(2)10-16-7-15(20-23-16)8-17(11-22-12-17)19-9-13-3-5-14(18)6-4-13/h3-7,19H,8-12H2,1-2H3.
What are the key properties of 3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N-[(4-fluorophenyl)methyl]oxetan-3-amine?
3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N-[(4-fluorophenyl)methyl]oxetan-3-amine has a molecular weight of 319.38 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-N-[(4-fluorophenyl)methyl]oxetan-3-amine is sourced from PubChem (CID 56775438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).