(4R)-4-[(2S)-butan-2-yl]-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one

C16H23N3O4 — CID 23850771

IUPAC(4R)-4-[(2S)-butan-2-yl]-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC[C@H](C)[C@@H]1COC(=O)N1C1CCN(C(=O)c2ccno2)CC1
InChIInChI=1S/C16H23N3O4/c1-3-11(2)13-10-22-16(21)19(13)12-5-8-18(9-6-12)15(20)14-4-7-17-23-14/h4,7,11-13H,3,5-6,8-10H2,1-2H3/t11-,13-/m0/s1
InChIKeyIEPGHPOHWJDBQU-AAEUAGOBSA-N
MW321.38 g/mol
LogP2.15
Rot. Bonds4

About (4R)-4-[(2S)-butan-2-yl]-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one

(4R)-4-[(2S)-butan-2-yl]-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 23850771) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is (4R)-4-[(2S)-butan-2-yl]-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(2S)-butan-2-yl]-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID23850771
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name(4R)-4-[(2S)-butan-2-yl]-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC[C@H](C)[C@@H]1COC(=O)N1C1CCN(C(=O)c2ccno2)CC1
InChIInChI=1S/C16H23N3O4/c1-3-11(2)13-10-22-16(21)19(13)12-5-8-18(9-6-12)15(20)14-4-7-17-23-14/h4,7,11-13H,3,5-6,8-10H2,1-2H3/t11-,13-/m0/s1
InChIKeyIEPGHPOHWJDBQU-AAEUAGOBSA-N
XLogP2.15
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2S)-butan-2-yl]-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-[(2S)-butan-2-yl]-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one (CID 23850771) is (4R)-4-[(2S)-butan-2-yl]-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-[(2S)-butan-2-yl]-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-[(2S)-butan-2-yl]-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one is CC[C@H](C)[C@@H]1COC(=O)N1C1CCN(C(=O)c2ccno2)CC1.
What is the InChIKey of (4R)-4-[(2S)-butan-2-yl]-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is IEPGHPOHWJDBQU-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-3-11(2)13-10-22-16(21)19(13)12-5-8-18(9-6-12)15(20)14-4-7-17-23-14/h4,7,11-13H,3,5-6,8-10H2,1-2H3/t11-,13-/m0/s1.
What are the key properties of (4R)-4-[(2S)-butan-2-yl]-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
(4R)-4-[(2S)-butan-2-yl]-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 321.38 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2S)-butan-2-yl]-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 23850771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).