(4R)-4-(2-methylpropyl)-2-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-oxazole

C15H28N2O — CID 141245459

IUPAC(4R)-4-(2-methylpropyl)-2-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)C[C@@H]1COC(C(C)CN2CCCCC2)=N1
InChIInChI=1S/C15H28N2O/c1-12(2)9-14-11-18-15(16-14)13(3)10-17-7-5-4-6-8-17/h12-14H,4-11H2,1-3H3/t13?,14-/m1/s1
InChIKeyNHCUYLGJPAEXPY-ARLHGKGLSA-N
MW252.40 g/mol
LogP2.95
Rot. Bonds5

About (4R)-4-(2-methylpropyl)-2-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-oxazole

(4R)-4-(2-methylpropyl)-2-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 141245459) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is (4R)-4-(2-methylpropyl)-2-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-(2-methylpropyl)-2-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-oxazole
PubChem CID141245459
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name(4R)-4-(2-methylpropyl)-2-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)C[C@@H]1COC(C(C)CN2CCCCC2)=N1
InChIInChI=1S/C15H28N2O/c1-12(2)9-14-11-18-15(16-14)13(3)10-17-7-5-4-6-8-17/h12-14H,4-11H2,1-3H3/t13?,14-/m1/s1
InChIKeyNHCUYLGJPAEXPY-ARLHGKGLSA-N
XLogP2.95
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-methylpropyl)-2-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-(2-methylpropyl)-2-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-oxazole (CID 141245459) is (4R)-4-(2-methylpropyl)-2-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-(2-methylpropyl)-2-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-(2-methylpropyl)-2-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-oxazole is CC(C)C[C@@H]1COC(C(C)CN2CCCCC2)=N1.
What is the InChIKey of (4R)-4-(2-methylpropyl)-2-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is NHCUYLGJPAEXPY-ARLHGKGLSA-N. The full InChI is InChI=1S/C15H28N2O/c1-12(2)9-14-11-18-15(16-14)13(3)10-17-7-5-4-6-8-17/h12-14H,4-11H2,1-3H3/t13?,14-/m1/s1.
What are the key properties of (4R)-4-(2-methylpropyl)-2-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-oxazole?
(4R)-4-(2-methylpropyl)-2-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 252.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-methylpropyl)-2-(1-piperidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 141245459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).