2-methylpropane;(5R)-5-phenyl-1,3-oxazolidin-2-one

C13H19NO2 — CID 158495868

IUPAC2-methylpropane;(5R)-5-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)C.O=C1NC[C@@H](c2ccccc2)O1
InChIInChI=1S/C9H9NO2.C4H10/c11-9-10-6-8(12-9)7-4-2-1-3-5-7;1-4(2)3/h1-5,8H,6H2,(H,10,11);4H,1-3H3/t8-;/m0./s1
InChIKeyHJGZGPYLHRQAGV-QRPNPIFTSA-N
MW221.30 g/mol
LogP3.13
Rot. Bonds1

About 2-methylpropane;(5R)-5-phenyl-1,3-oxazolidin-2-one

2-methylpropane;(5R)-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 158495868) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-methylpropane;(5R)-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name2-methylpropane;(5R)-5-phenyl-1,3-oxazolidin-2-one
PubChem CID158495868
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-methylpropane;(5R)-5-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)C.O=C1NC[C@@H](c2ccccc2)O1
InChIInChI=1S/C9H9NO2.C4H10/c11-9-10-6-8(12-9)7-4-2-1-3-5-7;1-4(2)3/h1-5,8H,6H2,(H,10,11);4H,1-3H3/t8-;/m0./s1
InChIKeyHJGZGPYLHRQAGV-QRPNPIFTSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;(5R)-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 2-methylpropane;(5R)-5-phenyl-1,3-oxazolidin-2-one (CID 158495868) is 2-methylpropane;(5R)-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 2-methylpropane;(5R)-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 2-methylpropane;(5R)-5-phenyl-1,3-oxazolidin-2-one is CC(C)C.O=C1NC[C@@H](c2ccccc2)O1.
What is the InChIKey of 2-methylpropane;(5R)-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is HJGZGPYLHRQAGV-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H9NO2.C4H10/c11-9-10-6-8(12-9)7-4-2-1-3-5-7;1-4(2)3/h1-5,8H,6H2,(H,10,11);4H,1-3H3/t8-;/m0./s1.
What are the key properties of 2-methylpropane;(5R)-5-phenyl-1,3-oxazolidin-2-one?
2-methylpropane;(5R)-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 221.30 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;(5R)-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 158495868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).