(4R)-3-butanoyl-4-propan-2-yl-1,3-oxazolidin-2-one

C10H17NO3 — CID 12892327

IUPAC(4R)-3-butanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCCC(=O)N1C(=O)OC[C@H]1C(C)C
InChIInChI=1S/C10H17NO3/c1-4-5-9(12)11-8(7(2)3)6-14-10(11)13/h7-8H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyROUBSHUEYGPLRH-QMMMGPOBSA-N
MW199.25 g/mol
LogP1.79
Rot. Bonds3

About (4R)-3-butanoyl-4-propan-2-yl-1,3-oxazolidin-2-one

(4R)-3-butanoyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 12892327) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (4R)-3-butanoyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-butanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID12892327
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(4R)-3-butanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCCC(=O)N1C(=O)OC[C@H]1C(C)C
InChIInChI=1S/C10H17NO3/c1-4-5-9(12)11-8(7(2)3)6-14-10(11)13/h7-8H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyROUBSHUEYGPLRH-QMMMGPOBSA-N
XLogP1.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Methylpentanoyl)-1,3-oxazolidin-2-one
CID 24790368
4-Isopropyl-3-propionyl-2-oxazolidinone
CID 190974
US10214537, Example 158
CID 57765494
(4S)-4-(1-Methylethyl)-3-(5,5,5-trifluoro-1-oxopentyl)-2-oxazolidinone
CID 68315009
(4R)-3-Propanoyl-4-(propan-2-yl)-1,3-oxazolidin-2-one
CID 643512
(S)-(+)-4-Isopropyl-3-propionyl-2-oxazolidinone
CID 853160
(4S)-3-[(2S)-2-fluorohexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 135055249
(4S)-3-[(2S)-2-fluoro-3,3-dimethylbutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 135056187
(4S)-3-Butanoyl-4-(propan-2-yl)-1,3-oxazolidin-2-one
CID 10330387
4-(S)-Isopropyl-3-(1-oxodecyl)-2-oxazolidinone
CID 10755432
(S)-4-Isopropyl-3-(3-methylbutanoyl)oxazolidin-2-one
CID 10856824
(4S)-3-(3,3-dimethylbutanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10878892

Frequently Asked Questions

What is the IUPAC name of (4R)-3-butanoyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-butanoyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 12892327) is (4R)-3-butanoyl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-butanoyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-butanoyl-4-propan-2-yl-1,3-oxazolidin-2-one is CCCC(=O)N1C(=O)OC[C@H]1C(C)C.
What is the InChIKey of (4R)-3-butanoyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is ROUBSHUEYGPLRH-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-5-9(12)11-8(7(2)3)6-14-10(11)13/h7-8H,4-6H2,1-3H3/t8-/m0/s1.
What are the key properties of (4R)-3-butanoyl-4-propan-2-yl-1,3-oxazolidin-2-one?
(4R)-3-butanoyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 199.25 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-butanoyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 12892327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).