2-[(4R)-4-phenyl-1,3-oxazolidin-3-yl]acetonitrile

C11H12N2O — CID 11110119

IUPAC2-[(4R)-4-phenyl-1,3-oxazolidin-3-yl]acetonitrile
SMILESN#CCN1COC[C@H]1c1ccccc1
InChIInChI=1S/C11H12N2O/c12-6-7-13-9-14-8-11(13)10-4-2-1-3-5-10/h1-5,11H,7-9H2/t11-/m0/s1
InChIKeyHCCRKULUUAPCGT-NSHDSACASA-N
MW188.23 g/mol
LogP1.54
Rot. Bonds2

About 2-[(4R)-4-phenyl-1,3-oxazolidin-3-yl]acetonitrile

2-[(4R)-4-phenyl-1,3-oxazolidin-3-yl]acetonitrile (PubChem CID 11110119) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-[(4R)-4-phenyl-1,3-oxazolidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[(4R)-4-phenyl-1,3-oxazolidin-3-yl]acetonitrile
PubChem CID11110119
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-[(4R)-4-phenyl-1,3-oxazolidin-3-yl]acetonitrile
SMILESN#CCN1COC[C@H]1c1ccccc1
InChIInChI=1S/C11H12N2O/c12-6-7-13-9-14-8-11(13)10-4-2-1-3-5-10/h1-5,11H,7-9H2/t11-/m0/s1
InChIKeyHCCRKULUUAPCGT-NSHDSACASA-N
XLogP1.54
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-phenyl-1,3-oxazolidin-3-yl]acetonitrile?
The IUPAC name of 2-[(4R)-4-phenyl-1,3-oxazolidin-3-yl]acetonitrile (CID 11110119) is 2-[(4R)-4-phenyl-1,3-oxazolidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[(4R)-4-phenyl-1,3-oxazolidin-3-yl]acetonitrile?
The canonical SMILES for 2-[(4R)-4-phenyl-1,3-oxazolidin-3-yl]acetonitrile is N#CCN1COC[C@H]1c1ccccc1.
What is the InChIKey of 2-[(4R)-4-phenyl-1,3-oxazolidin-3-yl]acetonitrile?
The InChIKey is HCCRKULUUAPCGT-NSHDSACASA-N. The full InChI is InChI=1S/C11H12N2O/c12-6-7-13-9-14-8-11(13)10-4-2-1-3-5-10/h1-5,11H,7-9H2/t11-/m0/s1.
What are the key properties of 2-[(4R)-4-phenyl-1,3-oxazolidin-3-yl]acetonitrile?
2-[(4R)-4-phenyl-1,3-oxazolidin-3-yl]acetonitrile has a molecular weight of 188.23 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-phenyl-1,3-oxazolidin-3-yl]acetonitrile is sourced from PubChem (CID 11110119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).