(5-cyclopropyl-1,3-oxazol-4-yl)-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone

C15H22N2O3 — CID 72929517

IUPAC(5-cyclopropyl-1,3-oxazol-4-yl)-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone
SMILESCC1(C)CN(C(=O)c2ncoc2C2CC2)CC[C@]1(C)O
InChIInChI=1S/C15H22N2O3/c1-14(2)8-17(7-6-15(14,3)19)13(18)11-12(10-4-5-10)20-9-16-11/h9-10,19H,4-8H2,1-3H3/t15-/m0/s1
InChIKeyPFJCZDYKXOLFTP-HNNXBMFYSA-N
MW278.35 g/mol
LogP2.18
Rot. Bonds2

About (5-cyclopropyl-1,3-oxazol-4-yl)-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone

(5-cyclopropyl-1,3-oxazol-4-yl)-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone (PubChem CID 72929517) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (5-cyclopropyl-1,3-oxazol-4-yl)-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,3-oxazol-4-yl)-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone
PubChem CID72929517
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(5-cyclopropyl-1,3-oxazol-4-yl)-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone
SMILESCC1(C)CN(C(=O)c2ncoc2C2CC2)CC[C@]1(C)O
InChIInChI=1S/C15H22N2O3/c1-14(2)8-17(7-6-15(14,3)19)13(18)11-12(10-4-5-10)20-9-16-11/h9-10,19H,4-8H2,1-3H3/t15-/m0/s1
InChIKeyPFJCZDYKXOLFTP-HNNXBMFYSA-N
XLogP2.18
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,3-oxazol-4-yl)-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1,3-oxazol-4-yl)-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone (CID 72929517) is (5-cyclopropyl-1,3-oxazol-4-yl)-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,3-oxazol-4-yl)-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1,3-oxazol-4-yl)-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone is CC1(C)CN(C(=O)c2ncoc2C2CC2)CC[C@]1(C)O.
What is the InChIKey of (5-cyclopropyl-1,3-oxazol-4-yl)-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone?
The InChIKey is PFJCZDYKXOLFTP-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-14(2)8-17(7-6-15(14,3)19)13(18)11-12(10-4-5-10)20-9-16-11/h9-10,19H,4-8H2,1-3H3/t15-/m0/s1.
What are the key properties of (5-cyclopropyl-1,3-oxazol-4-yl)-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone?
(5-cyclopropyl-1,3-oxazol-4-yl)-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone has a molecular weight of 278.35 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,3-oxazol-4-yl)-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 72929517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).