(4S)-3-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C14H17NO2 — CID 101082490

IUPAC(4S)-3-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1/C=C/c1ccccc1
InChIInChI=1S/C14H17NO2/c1-11(2)13-10-17-14(16)15(13)9-8-12-6-4-3-5-7-12/h3-9,11,13H,10H2,1-2H3/b9-8+/t13-/m1/s1
InChIKeyRCEUDJRWWZAMFG-MMQHEFTJSA-N
MW231.30 g/mol
LogP3.13
Rot. Bonds3

About (4S)-3-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 101082490) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is (4S)-3-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID101082490
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name(4S)-3-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1/C=C/c1ccccc1
InChIInChI=1S/C14H17NO2/c1-11(2)13-10-17-14(16)15(13)9-8-12-6-4-3-5-7-12/h3-9,11,13H,10H2,1-2H3/b9-8+/t13-/m1/s1
InChIKeyRCEUDJRWWZAMFG-MMQHEFTJSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(E)-1-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 122391411
3-[(Z)-1-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 132965775
3-[(Z)-2-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 132969632
(4S)-3-benzyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10704100
(S)-4-Isopropyl-3-(3-phenylacryloyl)oxazolidin-2-one
CID 10355199
(S)-4-isopropyl-3-(3-phenylpropanoyl)oxazolidin-2-one
CID 10467835
(4S)-4-benzyl-3-methyl-1,3-oxazolidin-2-one
CID 12078513
3-Benzyl-4-methyl-1,3-oxazolidin-2-one
CID 12146637
3-Styryl-oxazolidin-2-one
CID 13790906
(4R)-4-benzyl-3-methyl-1,3-oxazolidin-2-one
CID 14836208
3-(Phenylethynyl)oxazolidin-2-one
CID 23629254
(R)-4-Benzyl-3-((R)-2-methylbut-3-enoyl)oxazolidin-2-one
CID 44248975

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 101082490) is (4S)-3-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1/C=C/c1ccccc1.
What is the InChIKey of (4S)-3-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is RCEUDJRWWZAMFG-MMQHEFTJSA-N. The full InChI is InChI=1S/C14H17NO2/c1-11(2)13-10-17-14(16)15(13)9-8-12-6-4-3-5-7-12/h3-9,11,13H,10H2,1-2H3/b9-8+/t13-/m1/s1.
What are the key properties of (4S)-3-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 231.30 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 101082490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).