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

C14H19NO3 — CID 70049261

IUPAC(4S)-4-(cyclohexylmethyl)-5-(furan-2-yl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](CC2CCCCC2)C(c2ccco2)O1
InChIInChI=1S/C14H19NO3/c16-14-15-11(9-10-5-2-1-3-6-10)13(18-14)12-7-4-8-17-12/h4,7-8,10-11,13H,1-3,5-6,9H2,(H,15,16)/t11-,13?/m0/s1
InChIKeyNIGFVVVHGPBTCQ-AMGKYWFPSA-N
MW249.31 g/mol
LogP3.40
Rot. Bonds3

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

(4S)-4-(cyclohexylmethyl)-5-(furan-2-yl)-1,3-oxazolidin-2-one (PubChem CID 70049261) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (4S)-4-(cyclohexylmethyl)-5-(furan-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(cyclohexylmethyl)-5-(furan-2-yl)-1,3-oxazolidin-2-one
PubChem CID70049261
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(4S)-4-(cyclohexylmethyl)-5-(furan-2-yl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](CC2CCCCC2)C(c2ccco2)O1
InChIInChI=1S/C14H19NO3/c16-14-15-11(9-10-5-2-1-3-6-10)13(18-14)12-7-4-8-17-12/h4,7-8,10-11,13H,1-3,5-6,9H2,(H,15,16)/t11-,13?/m0/s1
InChIKeyNIGFVVVHGPBTCQ-AMGKYWFPSA-N
XLogP3.40
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(cyclohexylmethyl)-5-(furan-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-(cyclohexylmethyl)-5-(furan-2-yl)-1,3-oxazolidin-2-one (CID 70049261) is (4S)-4-(cyclohexylmethyl)-5-(furan-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-(cyclohexylmethyl)-5-(furan-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-(cyclohexylmethyl)-5-(furan-2-yl)-1,3-oxazolidin-2-one is O=C1N[C@@H](CC2CCCCC2)C(c2ccco2)O1.
What is the InChIKey of (4S)-4-(cyclohexylmethyl)-5-(furan-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is NIGFVVVHGPBTCQ-AMGKYWFPSA-N. The full InChI is InChI=1S/C14H19NO3/c16-14-15-11(9-10-5-2-1-3-6-10)13(18-14)12-7-4-8-17-12/h4,7-8,10-11,13H,1-3,5-6,9H2,(H,15,16)/t11-,13?/m0/s1.
What are the key properties of (4S)-4-(cyclohexylmethyl)-5-(furan-2-yl)-1,3-oxazolidin-2-one?
(4S)-4-(cyclohexylmethyl)-5-(furan-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 249.31 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(cyclohexylmethyl)-5-(furan-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 70049261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).