(3R,5R)-3-(furan-2-yl)-2-phenyl-1,2-oxazolidine-5-carbonitrile

C14H12N2O2 — CID 102077139

IUPAC(3R,5R)-3-(furan-2-yl)-2-phenyl-1,2-oxazolidine-5-carbonitrile
SMILESN#C[C@H]1C[C@H](c2ccco2)N(c2ccccc2)O1
InChIInChI=1S/C14H12N2O2/c15-10-12-9-13(14-7-4-8-17-14)16(18-12)11-5-2-1-3-6-11/h1-8,12-13H,9H2/t12-,13-/m1/s1
InChIKeyRBDXODFTNDFBCM-CHWSQXEVSA-N
MW240.26 g/mol
LogP3.05
Rot. Bonds2

About (3R,5R)-3-(furan-2-yl)-2-phenyl-1,2-oxazolidine-5-carbonitrile

(3R,5R)-3-(furan-2-yl)-2-phenyl-1,2-oxazolidine-5-carbonitrile (PubChem CID 102077139) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is (3R,5R)-3-(furan-2-yl)-2-phenyl-1,2-oxazolidine-5-carbonitrile.

Molecular Properties

Compound Name(3R,5R)-3-(furan-2-yl)-2-phenyl-1,2-oxazolidine-5-carbonitrile
PubChem CID102077139
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name(3R,5R)-3-(furan-2-yl)-2-phenyl-1,2-oxazolidine-5-carbonitrile
SMILESN#C[C@H]1C[C@H](c2ccco2)N(c2ccccc2)O1
InChIInChI=1S/C14H12N2O2/c15-10-12-9-13(14-7-4-8-17-14)16(18-12)11-5-2-1-3-6-11/h1-8,12-13H,9H2/t12-,13-/m1/s1
InChIKeyRBDXODFTNDFBCM-CHWSQXEVSA-N
XLogP3.05
TPSA49.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-(furan-2-yl)-2-phenyl-1,2-oxazolidine-5-carbonitrile?
The IUPAC name of (3R,5R)-3-(furan-2-yl)-2-phenyl-1,2-oxazolidine-5-carbonitrile (CID 102077139) is (3R,5R)-3-(furan-2-yl)-2-phenyl-1,2-oxazolidine-5-carbonitrile.
What is the SMILES notation for (3R,5R)-3-(furan-2-yl)-2-phenyl-1,2-oxazolidine-5-carbonitrile?
The canonical SMILES for (3R,5R)-3-(furan-2-yl)-2-phenyl-1,2-oxazolidine-5-carbonitrile is N#C[C@H]1C[C@H](c2ccco2)N(c2ccccc2)O1.
What is the InChIKey of (3R,5R)-3-(furan-2-yl)-2-phenyl-1,2-oxazolidine-5-carbonitrile?
The InChIKey is RBDXODFTNDFBCM-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H12N2O2/c15-10-12-9-13(14-7-4-8-17-14)16(18-12)11-5-2-1-3-6-11/h1-8,12-13H,9H2/t12-,13-/m1/s1.
What are the key properties of (3R,5R)-3-(furan-2-yl)-2-phenyl-1,2-oxazolidine-5-carbonitrile?
(3R,5R)-3-(furan-2-yl)-2-phenyl-1,2-oxazolidine-5-carbonitrile has a molecular weight of 240.26 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-(furan-2-yl)-2-phenyl-1,2-oxazolidine-5-carbonitrile is sourced from PubChem (CID 102077139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).