4-(2-methylpropyl)-5-phenyl-1,3-oxazolidin-2-one

C13H17NO2 — CID 14553806

IUPAC4-(2-methylpropyl)-5-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)CC1NC(=O)OC1c1ccccc1
InChIInChI=1S/C13H17NO2/c1-9(2)8-11-12(16-13(15)14-11)10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3,(H,14,15)
InChIKeyYYHKDAYVJJZHEN-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.88
Rot. Bonds3

About 4-(2-methylpropyl)-5-phenyl-1,3-oxazolidin-2-one

4-(2-methylpropyl)-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 14553806) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-(2-methylpropyl)-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(2-methylpropyl)-5-phenyl-1,3-oxazolidin-2-one
PubChem CID14553806
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-(2-methylpropyl)-5-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)CC1NC(=O)OC1c1ccccc1
InChIInChI=1S/C13H17NO2/c1-9(2)8-11-12(16-13(15)14-11)10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3,(H,14,15)
InChIKeyYYHKDAYVJJZHEN-UHFFFAOYSA-N
XLogP2.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-(2-methylpropyl)-5-phenyl-1,3-oxazolidin-2-one (CID 14553806) is 4-(2-methylpropyl)-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(2-methylpropyl)-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(2-methylpropyl)-5-phenyl-1,3-oxazolidin-2-one is CC(C)CC1NC(=O)OC1c1ccccc1.
What is the InChIKey of 4-(2-methylpropyl)-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is YYHKDAYVJJZHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9(2)8-11-12(16-13(15)14-11)10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3,(H,14,15).
What are the key properties of 4-(2-methylpropyl)-5-phenyl-1,3-oxazolidin-2-one?
4-(2-methylpropyl)-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 219.28 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 14553806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).