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

C16H20FN3O — CID 62547236

IUPAC1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-3-amine
SMILESCNC1CCCN(Cc2coc(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C16H20FN3O/c1-18-14-3-2-8-20(9-14)10-15-11-21-16(19-15)12-4-6-13(17)7-5-12/h4-7,11,14,18H,2-3,8-10H2,1H3
InChIKeyJPTTWCVVRKKTAE-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.66
Rot. Bonds4

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

1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-3-amine (PubChem CID 62547236) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-3-amine
PubChem CID62547236
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-3-amine
SMILESCNC1CCCN(Cc2coc(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C16H20FN3O/c1-18-14-3-2-8-20(9-14)10-15-11-21-16(19-15)12-4-6-13(17)7-5-12/h4-7,11,14,18H,2-3,8-10H2,1H3
InChIKeyJPTTWCVVRKKTAE-UHFFFAOYSA-N
XLogP2.66
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-4-ol
CID 114681165
1-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 81496163
1-[1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-N-methylmethanamine
CID 119914648
(3R)-N-(5-chloro-2-pyridinyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 51961377
1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 119925586
N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928002
1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol
CID 115873830
tert-butyl N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55826643
4-[[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-2-(4-methylphenyl)-1,3-oxazole
CID 56662511
2-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]acetic acid
CID 64618913
1-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 60726482
1-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanol
CID 111106797

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-3-amine?
The IUPAC name of 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-3-amine (CID 62547236) is 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-3-amine?
The canonical SMILES for 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-3-amine is CNC1CCCN(Cc2coc(-c3ccc(F)cc3)n2)C1.
What is the InChIKey of 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-3-amine?
The InChIKey is JPTTWCVVRKKTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-18-14-3-2-8-20(9-14)10-15-11-21-16(19-15)12-4-6-13(17)7-5-12/h4-7,11,14,18H,2-3,8-10H2,1H3.
What are the key properties of 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-3-amine?
1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-3-amine has a molecular weight of 289.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 62547236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).