(4S)-3-[(2S)-2-fluorohexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C12H20FNO3 — CID 135055249

IUPAC(4S)-3-[(2S)-2-fluorohexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCCC[C@H](F)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C12H20FNO3/c1-4-5-6-9(13)11(15)14-10(8(2)3)7-17-12(14)16/h8-10H,4-7H2,1-3H3/t9-,10+/m0/s1
InChIKeyPJNMVPDZEIIXCI-VHSXEESVSA-N
MW245.29 g/mol
LogP2.52
Rot. Bonds5

About (4S)-3-[(2S)-2-fluorohexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(2S)-2-fluorohexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 135055249) has the molecular formula C12H20FNO3 and a molecular weight of 245.29 g/mol. Its IUPAC name is (4S)-3-[(2S)-2-fluorohexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2S)-2-fluorohexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID135055249
Molecular FormulaC12H20FNO3
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC Name(4S)-3-[(2S)-2-fluorohexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCCC[C@H](F)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C12H20FNO3/c1-4-5-6-9(13)11(15)14-10(8(2)3)7-17-12(14)16/h8-10H,4-7H2,1-3H3/t9-,10+/m0/s1
InChIKeyPJNMVPDZEIIXCI-VHSXEESVSA-N
XLogP2.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Methylpentanoyl)-1,3-oxazolidin-2-one
CID 24790368
(4S)-4-(1-Methylethyl)-3-(5,5,5-trifluoro-1-oxopentyl)-2-oxazolidinone
CID 68315009
(4S)-3-[(2S)-2-fluoro-3,3-dimethylbutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 135056187
(4S)-3-[(2S)-2-(difluoromethyl)hexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 135070675
(4S)-3-Butanoyl-4-(propan-2-yl)-1,3-oxazolidin-2-one
CID 10330387
4-(S)-Isopropyl-3-(1-oxododecyl)-2-oxazolidinone
CID 10686504
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
(2R)-4-methyl-2-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]pentanenitrile
CID 11558038
(4S)-3-[(2S)-2-methylhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11615658
3-Hexanoyl-1,3-oxazolidin-2-one
CID 12292569

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2S)-2-fluorohexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2S)-2-fluorohexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 135055249) is (4S)-3-[(2S)-2-fluorohexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2S)-2-fluorohexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2S)-2-fluorohexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CCCC[C@H](F)C(=O)N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-[(2S)-2-fluorohexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is PJNMVPDZEIIXCI-VHSXEESVSA-N. The full InChI is InChI=1S/C12H20FNO3/c1-4-5-6-9(13)11(15)14-10(8(2)3)7-17-12(14)16/h8-10H,4-7H2,1-3H3/t9-,10+/m0/s1.
What are the key properties of (4S)-3-[(2S)-2-fluorohexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(2S)-2-fluorohexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 245.29 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2S)-2-fluorohexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 135055249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).