5-propan-2-yl-3-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,2-oxazole

C17H23N3O — CID 124749238

IUPAC5-propan-2-yl-3-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,2-oxazole
SMILESCC(C)c1cc(CN2CCCC[C@@H]2c2ccccn2)no1
InChIInChI=1S/C17H23N3O/c1-13(2)17-11-14(19-21-17)12-20-10-6-4-8-16(20)15-7-3-5-9-18-15/h3,5,7,9,11,13,16H,4,6,8,10,12H2,1-2H3/t16-/m1/s1
InChIKeyACENBKZJMDZQQY-MRXNPFEDSA-N
MW285.39 g/mol
LogP3.92
Rot. Bonds4

About 5-propan-2-yl-3-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,2-oxazole

5-propan-2-yl-3-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,2-oxazole (PubChem CID 124749238) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-propan-2-yl-3-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-propan-2-yl-3-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,2-oxazole
PubChem CID124749238
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name5-propan-2-yl-3-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,2-oxazole
SMILESCC(C)c1cc(CN2CCCC[C@@H]2c2ccccn2)no1
InChIInChI=1S/C17H23N3O/c1-13(2)17-11-14(19-21-17)12-20-10-6-4-8-16(20)15-7-3-5-9-18-15/h3,5,7,9,11,13,16H,4,6,8,10,12H2,1-2H3/t16-/m1/s1
InChIKeyACENBKZJMDZQQY-MRXNPFEDSA-N
XLogP3.92
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methylpropyl)-3-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid
CID 154889805
2-[1-(2-methylpropyl)piperidin-2-yl]pyridine
CID 102538970
2-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-2-yl]pyridine
CID 91835201
2-methyl-4-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,3-thiazole
CID 124755806
7-methyl-2-[[(2S)-2-pyridin-2-ylpiperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 124751830
2-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]pyridine
CID 56918216
3-propan-2-yl-5-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 53204191
3-propan-2-yl-5-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 91653847
3-[(2S)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92732441
3-[(2R)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92732440
2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 77081994
4-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole
CID 95729061

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-propan-2-yl-3-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,2-oxazole (CID 124749238) is 5-propan-2-yl-3-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-propan-2-yl-3-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-propan-2-yl-3-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,2-oxazole is CC(C)c1cc(CN2CCCC[C@@H]2c2ccccn2)no1.
What is the InChIKey of 5-propan-2-yl-3-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is ACENBKZJMDZQQY-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13(2)17-11-14(19-21-17)12-20-10-6-4-8-16(20)15-7-3-5-9-18-15/h3,5,7,9,11,13,16H,4,6,8,10,12H2,1-2H3/t16-/m1/s1.
What are the key properties of 5-propan-2-yl-3-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,2-oxazole?
5-propan-2-yl-3-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 285.39 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 124749238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).