N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine

C16H22N4O — CID 102673300

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
SMILESCc1nc(CNC2CCN(c3ccccn3)CC2)oc1C
InChIInChI=1S/C16H22N4O/c1-12-13(2)21-16(19-12)11-18-14-6-9-20(10-7-14)15-5-3-4-8-17-15/h3-5,8,14,18H,6-7,9-11H2,1-2H3
InChIKeyAFHWTZURGXULIV-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.45
Rot. Bonds4

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine (PubChem CID 102673300) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
PubChem CID102673300
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
SMILESCc1nc(CNC2CCN(c3ccccn3)CC2)oc1C
InChIInChI=1S/C16H22N4O/c1-12-13(2)21-16(19-12)11-18-14-6-9-20(10-7-14)15-5-3-4-8-17-15/h3-5,8,14,18H,6-7,9-11H2,1-2H3
InChIKeyAFHWTZURGXULIV-UHFFFAOYSA-N
XLogP2.45
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 103275609
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 43675430
N-[(4-ethylphenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 119126767
N-[(2-aminophenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 66387456
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylazepan-4-amine
CID 106370571
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylcyclohexan-1-amine
CID 102673114
N-[(4,5-dibromofuran-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 62084118
N-[(1-methylpyrrolidin-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 103778968
1-benzyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
CID 102673140
N-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 43675359
N-[(6-bromo-2-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 115937851
N-(2-methylsulfanylethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 63983974

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine (CID 102673300) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine is Cc1nc(CNC2CCN(c3ccccn3)CC2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine?
The InChIKey is AFHWTZURGXULIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-13(2)21-16(19-12)11-18-14-6-9-20(10-7-14)15-5-3-4-8-17-15/h3-5,8,14,18H,6-7,9-11H2,1-2H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine has a molecular weight of 286.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine is sourced from PubChem (CID 102673300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).