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

C11H19NO3 — CID 139919284

IUPAC(4R)-3-pentanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCCCC(=O)N1C(=O)OC[C@H]1C(C)C
InChIInChI=1S/C11H19NO3/c1-4-5-6-10(13)12-9(8(2)3)7-15-11(12)14/h8-9H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyZAOVCDQUFDERJV-VIFPVBQESA-N
MW213.28 g/mol
LogP2.18
Rot. Bonds4

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

(4R)-3-pentanoyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 139919284) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (4R)-3-pentanoyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-pentanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID139919284
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(4R)-3-pentanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCCCC(=O)N1C(=O)OC[C@H]1C(C)C
InChIInChI=1S/C11H19NO3/c1-4-5-6-10(13)12-9(8(2)3)7-15-11(12)14/h8-9H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyZAOVCDQUFDERJV-VIFPVBQESA-N
XLogP2.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-heptanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 22490329
(4S)-3-hept-6-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11053746
(4S)-3-(3-hydroxydecanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15400986
5-bromo-1-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pentane-1,4-dione
CID 21468642
2,2-dimethyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid
CID 118343251
(4R)-3-[(5E,9E,13E)-15-bromo-5,9,13-trimethylpentadeca-5,9,13-trienoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11851047
(4R)-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11010755
3-(2-cyclopentylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10082966
3-[3-(3,5-difluorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 76723696
(4S)-3-[3-(4-chlorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 122642087
2,2-dimethyl-4-oxo-4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)butanoic acid
CID 57209681
1,5-bis[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentane-1,5-dione
CID 102321018

Frequently Asked Questions

What is the IUPAC name of (4R)-3-pentanoyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-pentanoyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 139919284) is (4R)-3-pentanoyl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-pentanoyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-pentanoyl-4-propan-2-yl-1,3-oxazolidin-2-one is CCCCC(=O)N1C(=O)OC[C@H]1C(C)C.
What is the InChIKey of (4R)-3-pentanoyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is ZAOVCDQUFDERJV-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-5-6-10(13)12-9(8(2)3)7-15-11(12)14/h8-9H,4-7H2,1-3H3/t9-/m0/s1.
What are the key properties of (4R)-3-pentanoyl-4-propan-2-yl-1,3-oxazolidin-2-one?
(4R)-3-pentanoyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 213.28 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-pentanoyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 139919284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).