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

C16H20FN3O — CID 119920467

IUPAC1-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine
SMILESCNC1CCCN(Cc2ncc(-c3ccccc3F)o2)C1
InChIInChI=1S/C16H20FN3O/c1-18-12-5-4-8-20(10-12)11-16-19-9-15(21-16)13-6-2-3-7-14(13)17/h2-3,6-7,9,12,18H,4-5,8,10-11H2,1H3
InChIKeyANIYWZMRDVCRBG-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.66
Rot. Bonds4

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

1-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine (PubChem CID 119920467) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine
PubChem CID119920467
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name1-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine
SMILESCNC1CCCN(Cc2ncc(-c3ccccc3F)o2)C1
InChIInChI=1S/C16H20FN3O/c1-18-12-5-4-8-20(10-12)11-16-19-9-15(21-16)13-6-2-3-7-14(13)17/h2-3,6-7,9,12,18H,4-5,8,10-11H2,1H3
InChIKeyANIYWZMRDVCRBG-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

N-methyl-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperidin-3-amine
CID 119919890
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine;dihydrochloride
CID 119918897
1-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine
CID 119919861
N-[1-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-3-yl]methanesulfonamide
CID 126793230
(6R)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 129483204
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
1-(3-aminopiperidin-1-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119379130
N-(1-cyclopropylpiperidin-4-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 86921699
(3S)-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol
CID 111462016
2-[[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-(2-fluorophenyl)-1,3-oxazole
CID 126791585
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119488208
N-cyclopropyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 18136486

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine?
The IUPAC name of 1-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine (CID 119920467) is 1-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine?
The canonical SMILES for 1-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine is CNC1CCCN(Cc2ncc(-c3ccccc3F)o2)C1.
What is the InChIKey of 1-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine?
The InChIKey is ANIYWZMRDVCRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-18-12-5-4-8-20(10-12)11-16-19-9-15(21-16)13-6-2-3-7-14(13)17/h2-3,6-7,9,12,18H,4-5,8,10-11H2,1H3.
What are the key properties of 1-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine?
1-[[5-(2-fluorophenyl)-1,3-oxazol-2-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-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 119920467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).