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

C16H20BrN3O — CID 119919861

IUPAC1-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine
SMILESCNC1CCCN(Cc2ncc(-c3cccc(Br)c3)o2)C1
InChIInChI=1S/C16H20BrN3O/c1-18-14-6-3-7-20(10-14)11-16-19-9-15(21-16)12-4-2-5-13(17)8-12/h2,4-5,8-9,14,18H,3,6-7,10-11H2,1H3
InChIKeyXUAPWJURERGMHS-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.29
Rot. Bonds4

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

1-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine (PubChem CID 119919861) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine
PubChem CID119919861
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name1-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine
SMILESCNC1CCCN(Cc2ncc(-c3cccc(Br)c3)o2)C1
InChIInChI=1S/C16H20BrN3O/c1-18-14-6-3-7-20(10-14)11-16-19-9-15(21-16)12-4-2-5-13(17)8-12/h2,4-5,8-9,14,18H,3,6-7,10-11H2,1H3
InChIKeyXUAPWJURERGMHS-UHFFFAOYSA-N
XLogP3.29
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine;dihydrochloride
CID 119918897
1-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine
CID 119920467
N-methyl-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperidin-3-amine
CID 119919890
1-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119907505
(3S,4R)-1-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl]-4-phenylpyrrolidin-3-amine;dihydrochloride
CID 120760956
5-(3-chlorophenyl)-2-[[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 97076109
5-(3-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)-1,3-oxazole
CID 71864980
1-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 47473957
2-[[3-(phenoxymethyl)piperidin-1-yl]methyl]-5-phenyl-1,3-oxazole
CID 86972382
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-methylpiperidin-4-amine;dihydrochloride
CID 119924998
N-[1-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-3-yl]methanesulfonamide
CID 126793230
N-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 62545982

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine?
The IUPAC name of 1-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine (CID 119919861) is 1-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine?
The canonical SMILES for 1-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine is CNC1CCCN(Cc2ncc(-c3cccc(Br)c3)o2)C1.
What is the InChIKey of 1-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine?
The InChIKey is XUAPWJURERGMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-18-14-6-3-7-20(10-14)11-16-19-9-15(21-16)12-4-2-5-13(17)8-12/h2,4-5,8-9,14,18H,3,6-7,10-11H2,1H3.
What are the key properties of 1-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine?
1-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine has a molecular weight of 350.26 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 119919861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).