(4R,5S)-4-methyl-3-(4-methylpenta-2,3-dien-2-yl)-5-phenyl-1,3-oxazolidin-2-one

C16H19NO2 — CID 139264012

IUPAC(4R,5S)-4-methyl-3-(4-methylpenta-2,3-dien-2-yl)-5-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)=C=C(C)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C16H19NO2/c1-11(2)10-12(3)17-13(4)15(19-16(17)18)14-8-6-5-7-9-14/h5-9,13,15H,1-4H3/t13-,15-/m1/s1
InChIKeyHFCIDWYXFRNCAI-UKRRQHHQSA-N
MW257.33 g/mol
LogP4.04
Rot. Bonds2

About (4R,5S)-4-methyl-3-(4-methylpenta-2,3-dien-2-yl)-5-phenyl-1,3-oxazolidin-2-one

(4R,5S)-4-methyl-3-(4-methylpenta-2,3-dien-2-yl)-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 139264012) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (4R,5S)-4-methyl-3-(4-methylpenta-2,3-dien-2-yl)-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4-methyl-3-(4-methylpenta-2,3-dien-2-yl)-5-phenyl-1,3-oxazolidin-2-one
PubChem CID139264012
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(4R,5S)-4-methyl-3-(4-methylpenta-2,3-dien-2-yl)-5-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)=C=C(C)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C16H19NO2/c1-11(2)10-12(3)17-13(4)15(19-16(17)18)14-8-6-5-7-9-14/h5-9,13,15H,1-4H3/t13-,15-/m1/s1
InChIKeyHFCIDWYXFRNCAI-UKRRQHHQSA-N
XLogP4.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-methyl-3-(4-methylpenta-2,3-dien-2-yl)-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-4-methyl-3-(4-methylpenta-2,3-dien-2-yl)-5-phenyl-1,3-oxazolidin-2-one (CID 139264012) is (4R,5S)-4-methyl-3-(4-methylpenta-2,3-dien-2-yl)-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-4-methyl-3-(4-methylpenta-2,3-dien-2-yl)-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-4-methyl-3-(4-methylpenta-2,3-dien-2-yl)-5-phenyl-1,3-oxazolidin-2-one is CC(C)=C=C(C)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C.
What is the InChIKey of (4R,5S)-4-methyl-3-(4-methylpenta-2,3-dien-2-yl)-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is HFCIDWYXFRNCAI-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11(2)10-12(3)17-13(4)15(19-16(17)18)14-8-6-5-7-9-14/h5-9,13,15H,1-4H3/t13-,15-/m1/s1.
What are the key properties of (4R,5S)-4-methyl-3-(4-methylpenta-2,3-dien-2-yl)-5-phenyl-1,3-oxazolidin-2-one?
(4R,5S)-4-methyl-3-(4-methylpenta-2,3-dien-2-yl)-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 257.33 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-methyl-3-(4-methylpenta-2,3-dien-2-yl)-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 139264012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).