(3R,4R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-ethylpiperidine-3,4-diol

C17H28N2O3 — CID 70767834

IUPAC(3R,4R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-ethylpiperidine-3,4-diol
SMILESCC[C@@]1(O)CCN(Cc2cc(C3CCCCC3)no2)C[C@H]1O
InChIInChI=1S/C17H28N2O3/c1-2-17(21)8-9-19(12-16(17)20)11-14-10-15(18-22-14)13-6-4-3-5-7-13/h10,13,16,20-21H,2-9,11-12H2,1H3/t16-,17-/m1/s1
InChIKeyMLHHGOOPZCVRAZ-IAGOWNOFSA-N
MW308.42 g/mol
LogP2.43
Rot. Bonds4

About (3R,4R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-ethylpiperidine-3,4-diol

(3R,4R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-ethylpiperidine-3,4-diol (PubChem CID 70767834) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is (3R,4R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-ethylpiperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-ethylpiperidine-3,4-diol
PubChem CID70767834
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name(3R,4R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-ethylpiperidine-3,4-diol
SMILESCC[C@@]1(O)CCN(Cc2cc(C3CCCCC3)no2)C[C@H]1O
InChIInChI=1S/C17H28N2O3/c1-2-17(21)8-9-19(12-16(17)20)11-14-10-15(18-22-14)13-6-4-3-5-7-13/h10,13,16,20-21H,2-9,11-12H2,1H3/t16-,17-/m1/s1
InChIKeyMLHHGOOPZCVRAZ-IAGOWNOFSA-N
XLogP2.43
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-ethylpiperidine-3,4-diol?
The IUPAC name of (3R,4R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-ethylpiperidine-3,4-diol (CID 70767834) is (3R,4R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-ethylpiperidine-3,4-diol.
What is the SMILES notation for (3R,4R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-ethylpiperidine-3,4-diol?
The canonical SMILES for (3R,4R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-ethylpiperidine-3,4-diol is CC[C@@]1(O)CCN(Cc2cc(C3CCCCC3)no2)C[C@H]1O.
What is the InChIKey of (3R,4R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-ethylpiperidine-3,4-diol?
The InChIKey is MLHHGOOPZCVRAZ-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-2-17(21)8-9-19(12-16(17)20)11-14-10-15(18-22-14)13-6-4-3-5-7-13/h10,13,16,20-21H,2-9,11-12H2,1H3/t16-,17-/m1/s1.
What are the key properties of (3R,4R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-ethylpiperidine-3,4-diol?
(3R,4R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-ethylpiperidine-3,4-diol has a molecular weight of 308.42 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-ethylpiperidine-3,4-diol is sourced from PubChem (CID 70767834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).