(4S)-4-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one

C7H6ClNO3 — CID 130692441

IUPAC(4S)-4-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2ccc(Cl)o2)CO1
InChIInChI=1S/C7H6ClNO3/c8-6-2-1-5(12-6)4-3-11-7(10)9-4/h1-2,4H,3H2,(H,9,10)/t4-/m0/s1
InChIKeyCUKAWGVQLNUEFK-BYPYZUCNSA-N
MW187.58 g/mol
LogP1.71
Rot. Bonds1

About (4S)-4-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one

(4S)-4-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one (PubChem CID 130692441) has the molecular formula C7H6ClNO3 and a molecular weight of 187.58 g/mol. Its IUPAC name is (4S)-4-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one
PubChem CID130692441
Molecular FormulaC7H6ClNO3
Molecular Weight187.58 g/mol
Exact Mass187.00
IUPAC Name(4S)-4-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2ccc(Cl)o2)CO1
InChIInChI=1S/C7H6ClNO3/c8-6-2-1-5(12-6)4-3-11-7(10)9-4/h1-2,4H,3H2,(H,9,10)/t4-/m0/s1
InChIKeyCUKAWGVQLNUEFK-BYPYZUCNSA-N
XLogP1.71
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.58
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(5-bromofuran-2-yl)-1,3-oxazolidin-2-one
CID 130767129
(4R)-4-(2,3,6-trichlorophenyl)-1,3-oxazolidin-2-one
CID 171184657
(4S)-4-(2,6-dichlorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183694
2-(5-chlorofuran-2-yl)pyrrolidin-3-one
CID 83828885
(4S)-4-(2,5-dichlorophenyl)-1,3-oxazolidin-2-one
CID 131128673
4-(3-chlorothiophen-2-yl)-1,3-oxazolidin-2-one
CID 130148770
(4R)-4-(6-chloro-3-pyridinyl)-1,3-oxazolidin-2-one
CID 131173186
(4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one
CID 130067478
(2S,5S)-5-(5-chlorofuran-2-yl)pyrrolidine-2-carboxylic acid
CID 130955627
(4R)-4-phenyl-1,3-oxazolidin-2-one;hydrochloride
CID 171184730
(4R)-4-(3,5-dichloro-4-pyridinyl)-1,3-oxazolidin-2-one
CID 130613625
4-(3-chloro-4-methylphenyl)-1,3-oxazolidin-2-one
CID 106819070

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one (CID 130692441) is (4S)-4-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one is O=C1N[C@H](c2ccc(Cl)o2)CO1.
What is the InChIKey of (4S)-4-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is CUKAWGVQLNUEFK-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H6ClNO3/c8-6-2-1-5(12-6)4-3-11-7(10)9-4/h1-2,4H,3H2,(H,9,10)/t4-/m0/s1.
What are the key properties of (4S)-4-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one?
(4S)-4-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 187.58 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 130692441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).