(4R,5S)-4-methyl-3-(3-methylbuta-1,2-dienyl)-5-phenyl-1,3-oxazolidin-2-one

C15H17NO2 — CID 11368522

IUPAC(4R,5S)-4-methyl-3-(3-methylbuta-1,2-dienyl)-5-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)=C=CN1C(=O)O[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C15H17NO2/c1-11(2)9-10-16-12(3)14(18-15(16)17)13-7-5-4-6-8-13/h4-8,10,12,14H,1-3H3/t12-,14-/m1/s1
InChIKeyOAOISXMMCITVRS-TZMCWYRMSA-N
MW243.31 g/mol
LogP3.65
Rot. Bonds2

About (4R,5S)-4-methyl-3-(3-methylbuta-1,2-dienyl)-5-phenyl-1,3-oxazolidin-2-one

(4R,5S)-4-methyl-3-(3-methylbuta-1,2-dienyl)-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 11368522) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (4R,5S)-4-methyl-3-(3-methylbuta-1,2-dienyl)-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4-methyl-3-(3-methylbuta-1,2-dienyl)-5-phenyl-1,3-oxazolidin-2-one
PubChem CID11368522
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(4R,5S)-4-methyl-3-(3-methylbuta-1,2-dienyl)-5-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)=C=CN1C(=O)O[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C15H17NO2/c1-11(2)9-10-16-12(3)14(18-15(16)17)13-7-5-4-6-8-13/h4-8,10,12,14H,1-3H3/t12-,14-/m1/s1
InChIKeyOAOISXMMCITVRS-TZMCWYRMSA-N
XLogP3.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5S)-4-methyl-3-(4-methylpenta-2,3-dien-2-yl)-5-phenyl-1,3-oxazolidin-2-one
CID 139264012
(4S,5R)-3-[(Z)-1-hydroxyprop-1-enyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 132917281
(4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one
CID 58484806
(4R,5S)-4-methyl-3-[(Z)-[(2S)-3-methyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-5-phenyl-1,3-oxazolidin-2-one
CID 139043010
(4R,5S)-4-methyl-5-phenyl-3-prop-2-enoyl-1,3-oxazolidin-2-one
CID 10944289
(4S,5S)-3-benzyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11086728
4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carboxamide
CID 57349112
4-methyl-5-phenyl-3-propyl-1,3-oxazolidin-2-one
CID 19370117
(4R,5S)-4-methyl-3-(2-methylsulfanylacetyl)-5-phenyl-1,3-oxazolidin-2-one
CID 11832333
(4S,5R)-3-[(E)-but-2-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11806905
(4R,5R)-3-but-2-enoyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 91169232
4-methyl-3-(2-methylhept-4-ynoyl)-5-phenyl-1,3-oxazolidin-2-one
CID 14470147

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-methyl-3-(3-methylbuta-1,2-dienyl)-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-4-methyl-3-(3-methylbuta-1,2-dienyl)-5-phenyl-1,3-oxazolidin-2-one (CID 11368522) is (4R,5S)-4-methyl-3-(3-methylbuta-1,2-dienyl)-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-4-methyl-3-(3-methylbuta-1,2-dienyl)-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-4-methyl-3-(3-methylbuta-1,2-dienyl)-5-phenyl-1,3-oxazolidin-2-one is CC(C)=C=CN1C(=O)O[C@@H](c2ccccc2)[C@H]1C.
What is the InChIKey of (4R,5S)-4-methyl-3-(3-methylbuta-1,2-dienyl)-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is OAOISXMMCITVRS-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11(2)9-10-16-12(3)14(18-15(16)17)13-7-5-4-6-8-13/h4-8,10,12,14H,1-3H3/t12-,14-/m1/s1.
What are the key properties of (4R,5S)-4-methyl-3-(3-methylbuta-1,2-dienyl)-5-phenyl-1,3-oxazolidin-2-one?
(4R,5S)-4-methyl-3-(3-methylbuta-1,2-dienyl)-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 243.31 g/mol, XLogP of 3.65, 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-(3-methylbuta-1,2-dienyl)-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11368522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).