(3-propan-2-yl-1,2-oxazol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone

C15H24N2O3 — CID 95376983

IUPAC(3-propan-2-yl-1,2-oxazol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone
SMILESCCCO[C@H]1CCCN(C(=O)c2cc(C(C)C)no2)C1
InChIInChI=1S/C15H24N2O3/c1-4-8-19-12-6-5-7-17(10-12)15(18)14-9-13(11(2)3)16-20-14/h9,11-12H,4-8,10H2,1-3H3/t12-/m0/s1
InChIKeyRBCZADRBYVOYQF-LBPRGKRZSA-N
MW280.37 g/mol
LogP2.83
Rot. Bonds5

About (3-propan-2-yl-1,2-oxazol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone

(3-propan-2-yl-1,2-oxazol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone (PubChem CID 95376983) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is (3-propan-2-yl-1,2-oxazol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-propan-2-yl-1,2-oxazol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone
PubChem CID95376983
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name(3-propan-2-yl-1,2-oxazol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone
SMILESCCCO[C@H]1CCCN(C(=O)c2cc(C(C)C)no2)C1
InChIInChI=1S/C15H24N2O3/c1-4-8-19-12-6-5-7-17(10-12)15(18)14-9-13(11(2)3)16-20-14/h9,11-12H,4-8,10H2,1-3H3/t12-/m0/s1
InChIKeyRBCZADRBYVOYQF-LBPRGKRZSA-N
XLogP2.83
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-1,2-oxazol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone?
The IUPAC name of (3-propan-2-yl-1,2-oxazol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone (CID 95376983) is (3-propan-2-yl-1,2-oxazol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone.
What is the SMILES notation for (3-propan-2-yl-1,2-oxazol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone?
The canonical SMILES for (3-propan-2-yl-1,2-oxazol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone is CCCO[C@H]1CCCN(C(=O)c2cc(C(C)C)no2)C1.
What is the InChIKey of (3-propan-2-yl-1,2-oxazol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone?
The InChIKey is RBCZADRBYVOYQF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-8-19-12-6-5-7-17(10-12)15(18)14-9-13(11(2)3)16-20-14/h9,11-12H,4-8,10H2,1-3H3/t12-/m0/s1.
What are the key properties of (3-propan-2-yl-1,2-oxazol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone?
(3-propan-2-yl-1,2-oxazol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone has a molecular weight of 280.37 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yl-1,2-oxazol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone is sourced from PubChem (CID 95376983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).