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

C8H9NO3 — CID 42628438

IUPAC(4S)-5-(furan-2-yl)-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1NC(=O)OC1c1ccco1
InChIInChI=1S/C8H9NO3/c1-5-7(12-8(10)9-5)6-3-2-4-11-6/h2-5,7H,1H3,(H,9,10)/t5-,7?/m0/s1
InChIKeyGPCBPFGRFJDXMF-DSEUIKHZSA-N
MW167.16 g/mol
LogP1.45
Rot. Bonds1

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

(4S)-5-(furan-2-yl)-4-methyl-1,3-oxazolidin-2-one (PubChem CID 42628438) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is (4S)-5-(furan-2-yl)-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-5-(furan-2-yl)-4-methyl-1,3-oxazolidin-2-one
PubChem CID42628438
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name(4S)-5-(furan-2-yl)-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1NC(=O)OC1c1ccco1
InChIInChI=1S/C8H9NO3/c1-5-7(12-8(10)9-5)6-3-2-4-11-6/h2-5,7H,1H3,(H,9,10)/t5-,7?/m0/s1
InChIKeyGPCBPFGRFJDXMF-DSEUIKHZSA-N
XLogP1.45
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-5-(furan-2-yl)-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-5-(furan-2-yl)-4-methyl-1,3-oxazolidin-2-one (CID 42628438) is (4S)-5-(furan-2-yl)-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-5-(furan-2-yl)-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-5-(furan-2-yl)-4-methyl-1,3-oxazolidin-2-one is C[C@@H]1NC(=O)OC1c1ccco1.
What is the InChIKey of (4S)-5-(furan-2-yl)-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is GPCBPFGRFJDXMF-DSEUIKHZSA-N. The full InChI is InChI=1S/C8H9NO3/c1-5-7(12-8(10)9-5)6-3-2-4-11-6/h2-5,7H,1H3,(H,9,10)/t5-,7?/m0/s1.
What are the key properties of (4S)-5-(furan-2-yl)-4-methyl-1,3-oxazolidin-2-one?
(4S)-5-(furan-2-yl)-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 167.16 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-(furan-2-yl)-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 42628438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).