(4R)-3-[3-(1-fluorocyclobutyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C13H20FNO3 — CID 90087814

IUPAC(4R)-3-[3-(1-fluorocyclobutyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1COC(=O)N1C(=O)CCC1(F)CCC1
InChIInChI=1S/C13H20FNO3/c1-9(2)10-8-18-12(17)15(10)11(16)4-7-13(14)5-3-6-13/h9-10H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyCYJPRCSFMYEVER-JTQLQIEISA-N
MW257.30 g/mol
LogP2.66
Rot. Bonds4

About (4R)-3-[3-(1-fluorocyclobutyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4R)-3-[3-(1-fluorocyclobutyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 90087814) has the molecular formula C13H20FNO3 and a molecular weight of 257.30 g/mol. Its IUPAC name is (4R)-3-[3-(1-fluorocyclobutyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[3-(1-fluorocyclobutyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID90087814
Molecular FormulaC13H20FNO3
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name(4R)-3-[3-(1-fluorocyclobutyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1COC(=O)N1C(=O)CCC1(F)CCC1
InChIInChI=1S/C13H20FNO3/c1-9(2)10-8-18-12(17)15(10)11(16)4-7-13(14)5-3-6-13/h9-10H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyCYJPRCSFMYEVER-JTQLQIEISA-N
XLogP2.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[3-(1-fluorocyclobutyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[3-(1-fluorocyclobutyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 90087814) is (4R)-3-[3-(1-fluorocyclobutyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[3-(1-fluorocyclobutyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[3-(1-fluorocyclobutyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@@H]1COC(=O)N1C(=O)CCC1(F)CCC1.
What is the InChIKey of (4R)-3-[3-(1-fluorocyclobutyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is CYJPRCSFMYEVER-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20FNO3/c1-9(2)10-8-18-12(17)15(10)11(16)4-7-13(14)5-3-6-13/h9-10H,3-8H2,1-2H3/t10-/m0/s1.
What are the key properties of (4R)-3-[3-(1-fluorocyclobutyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4R)-3-[3-(1-fluorocyclobutyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 257.30 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[3-(1-fluorocyclobutyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 90087814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).