2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-(morpholine-4-carbonyl)piperidin-2-yl]ethanone

C19H29N3O4 — CID 58564058

IUPAC2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-(morpholine-4-carbonyl)piperidin-2-yl]ethanone
SMILESCC(C)(C)c1cc(CC(=O)[C@@H]2CCCCN2C(=O)N2CCOCC2)no1
InChIInChI=1S/C19H29N3O4/c1-19(2,3)17-13-14(20-26-17)12-16(23)15-6-4-5-7-22(15)18(24)21-8-10-25-11-9-21/h13,15H,4-12H2,1-3H3/t15-/m0/s1
InChIKeyYWJNHBDVUDHBHN-HNNXBMFYSA-N
MW363.46 g/mol
LogP2.39
Rot. Bonds3

About 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-(morpholine-4-carbonyl)piperidin-2-yl]ethanone

2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-(morpholine-4-carbonyl)piperidin-2-yl]ethanone (PubChem CID 58564058) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-(morpholine-4-carbonyl)piperidin-2-yl]ethanone.

Molecular Properties

Compound Name2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-(morpholine-4-carbonyl)piperidin-2-yl]ethanone
PubChem CID58564058
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-(morpholine-4-carbonyl)piperidin-2-yl]ethanone
SMILESCC(C)(C)c1cc(CC(=O)[C@@H]2CCCCN2C(=O)N2CCOCC2)no1
InChIInChI=1S/C19H29N3O4/c1-19(2,3)17-13-14(20-26-17)12-16(23)15-6-4-5-7-22(15)18(24)21-8-10-25-11-9-21/h13,15H,4-12H2,1-3H3/t15-/m0/s1
InChIKeyYWJNHBDVUDHBHN-HNNXBMFYSA-N
XLogP2.39
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-(morpholine-4-carbonyl)piperidin-2-yl]ethanone?
The IUPAC name of 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-(morpholine-4-carbonyl)piperidin-2-yl]ethanone (CID 58564058) is 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-(morpholine-4-carbonyl)piperidin-2-yl]ethanone.
What is the SMILES notation for 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-(morpholine-4-carbonyl)piperidin-2-yl]ethanone?
The canonical SMILES for 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-(morpholine-4-carbonyl)piperidin-2-yl]ethanone is CC(C)(C)c1cc(CC(=O)[C@@H]2CCCCN2C(=O)N2CCOCC2)no1.
What is the InChIKey of 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-(morpholine-4-carbonyl)piperidin-2-yl]ethanone?
The InChIKey is YWJNHBDVUDHBHN-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-19(2,3)17-13-14(20-26-17)12-16(23)15-6-4-5-7-22(15)18(24)21-8-10-25-11-9-21/h13,15H,4-12H2,1-3H3/t15-/m0/s1.
What are the key properties of 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-(morpholine-4-carbonyl)piperidin-2-yl]ethanone?
2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-(morpholine-4-carbonyl)piperidin-2-yl]ethanone has a molecular weight of 363.46 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-(morpholine-4-carbonyl)piperidin-2-yl]ethanone is sourced from PubChem (CID 58564058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).