[1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol

C19H30N2O2 — CID 70705548

IUPAC[1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol
SMILESC=CCC1(CO)CCCN(Cc2cc(C3CCCCC3)no2)C1
InChIInChI=1S/C19H30N2O2/c1-2-9-19(15-22)10-6-11-21(14-19)13-17-12-18(20-23-17)16-7-4-3-5-8-16/h2,12,16,22H,1,3-11,13-15H2
InChIKeyWJWKHZJHBNARQS-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.87
Rot. Bonds6

About [1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol

[1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol (PubChem CID 70705548) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is [1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol
PubChem CID70705548
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name[1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol
SMILESC=CCC1(CO)CCCN(Cc2cc(C3CCCCC3)no2)C1
InChIInChI=1S/C19H30N2O2/c1-2-9-19(15-22)10-6-11-21(14-19)13-17-12-18(20-23-17)16-7-4-3-5-8-16/h2,12,16,22H,1,3-11,13-15H2
InChIKeyWJWKHZJHBNARQS-UHFFFAOYSA-N
XLogP3.87
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol?
The IUPAC name of [1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol (CID 70705548) is [1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol?
The canonical SMILES for [1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol is C=CCC1(CO)CCCN(Cc2cc(C3CCCCC3)no2)C1.
What is the InChIKey of [1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol?
The InChIKey is WJWKHZJHBNARQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-2-9-19(15-22)10-6-11-21(14-19)13-17-12-18(20-23-17)16-7-4-3-5-8-16/h2,12,16,22H,1,3-11,13-15H2.
What are the key properties of [1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol?
[1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol has a molecular weight of 318.46 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol is sourced from PubChem (CID 70705548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).