[5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol

C13H22N2O2 — CID 115094198

IUPAC[5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol
SMILESCC(C)N1CCCC(Cc2cc(CO)no2)C1
InChIInChI=1S/C13H22N2O2/c1-10(2)15-5-3-4-11(8-15)6-13-7-12(9-16)14-17-13/h7,10-11,16H,3-6,8-9H2,1-2H3
InChIKeyKKAPBYSQLLWZCB-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.83
Rot. Bonds4

About [5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol

[5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol (PubChem CID 115094198) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is [5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol
PubChem CID115094198
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name[5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol
SMILESCC(C)N1CCCC(Cc2cc(CO)no2)C1
InChIInChI=1S/C13H22N2O2/c1-10(2)15-5-3-4-11(8-15)6-13-7-12(9-16)14-17-13/h7,10-11,16H,3-6,8-9H2,1-2H3
InChIKeyKKAPBYSQLLWZCB-UHFFFAOYSA-N
XLogP1.83
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol
CID 115093923
[(3R)-1-propan-2-ylpiperidin-3-yl]methanol
CID 26722498
1-(5-methyl-1,2-oxazol-3-yl)-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propan-2-one
CID 159657739
2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]ethanol
CID 115088933
[5-(1-propan-2-ylpiperidin-4-yl)-1,2-oxazol-3-yl]methanol
CID 115093890
5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2,4-oxadiazole-3-carbaldehyde
CID 115078505
2-[3-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081479
2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-1-ol
CID 115091118
N,2-dimethyl-6-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 124983622
2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazole-5-carbaldehyde
CID 115091074
N-methyl-1-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-amine
CID 115083475
2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]acetaldehyde
CID 115083403

Frequently Asked Questions

What is the IUPAC name of [5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol?
The IUPAC name of [5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol (CID 115094198) is [5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol.
What is the SMILES notation for [5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol?
The canonical SMILES for [5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol is CC(C)N1CCCC(Cc2cc(CO)no2)C1.
What is the InChIKey of [5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol?
The InChIKey is KKAPBYSQLLWZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(2)15-5-3-4-11(8-15)6-13-7-12(9-16)14-17-13/h7,10-11,16H,3-6,8-9H2,1-2H3.
What are the key properties of [5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol?
[5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol has a molecular weight of 238.33 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol is sourced from PubChem (CID 115094198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).