(4S)-3-methyl-4-[(1S)-1-phenylbut-3-enyl]-1,3-oxazolidin-2-one

C14H17NO2 — CID 59918948

IUPAC(4S)-3-methyl-4-[(1S)-1-phenylbut-3-enyl]-1,3-oxazolidin-2-one
SMILESC=CC[C@@H](c1ccccc1)[C@H]1COC(=O)N1C
InChIInChI=1S/C14H17NO2/c1-3-7-12(11-8-5-4-6-9-11)13-10-17-14(16)15(13)2/h3-6,8-9,12-13H,1,7,10H2,2H3/t12-,13+/m0/s1
InChIKeyRBSQKUMAGREXIL-QWHCGFSZSA-N
MW231.30 g/mol
LogP2.80
Rot. Bonds4

About (4S)-3-methyl-4-[(1S)-1-phenylbut-3-enyl]-1,3-oxazolidin-2-one

(4S)-3-methyl-4-[(1S)-1-phenylbut-3-enyl]-1,3-oxazolidin-2-one (PubChem CID 59918948) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is (4S)-3-methyl-4-[(1S)-1-phenylbut-3-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-methyl-4-[(1S)-1-phenylbut-3-enyl]-1,3-oxazolidin-2-one
PubChem CID59918948
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name(4S)-3-methyl-4-[(1S)-1-phenylbut-3-enyl]-1,3-oxazolidin-2-one
SMILESC=CC[C@@H](c1ccccc1)[C@H]1COC(=O)N1C
InChIInChI=1S/C14H17NO2/c1-3-7-12(11-8-5-4-6-9-11)13-10-17-14(16)15(13)2/h3-6,8-9,12-13H,1,7,10H2,2H3/t12-,13+/m0/s1
InChIKeyRBSQKUMAGREXIL-QWHCGFSZSA-N
XLogP2.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4R)-3-[(1R)-1-phenylbut-3-enyl]-4-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 11461333
(2S)-1-[(4R)-4-benzhydryl-2-oxo-1,3-oxazolidin-3-yl]-4-phenyl-2-prop-2-enylbutane-1,4-dione
CID 135840157
(4S)-4-benzhydryl-3-[(E)-benzylideneamino]-1,3-oxazolidin-2-one
CID 11111070
(4S)-4-phenyl-3-[(2R)-2-[(1S)-1-phenylethyl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 126708215
(4S)-4-benzyl-3-[(1E,3S)-1-phenylhexa-1,5-dien-3-yl]-1,3-oxazolidin-2-one
CID 102021010
(4R)-4-benzyl-3-methyl-1,3-oxazolidin-2-one
CID 14836208
(4S)-3-[(1S)-1-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134975680
(4R)-4-benzhydryl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one
CID 11760765
(4R)-4-phenyl-3-[(3S)-1-phenylhex-5-en-3-yl]-1,3-oxazolidin-2-one
CID 11809413
(4S)-4-ethenyl-3-phenyl-1,3-oxazolidin-2-one
CID 129362731
(4S)-4-benzyl-3-[(2S)-2-bromopent-4-enoyl]-1,3-oxazolidin-2-one
CID 14604020
(4S)-3-[(2R,3S)-2-methyl-3-phenyl-3-trimethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 24746063

Frequently Asked Questions

What is the IUPAC name of (4S)-3-methyl-4-[(1S)-1-phenylbut-3-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-methyl-4-[(1S)-1-phenylbut-3-enyl]-1,3-oxazolidin-2-one (CID 59918948) is (4S)-3-methyl-4-[(1S)-1-phenylbut-3-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-methyl-4-[(1S)-1-phenylbut-3-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-methyl-4-[(1S)-1-phenylbut-3-enyl]-1,3-oxazolidin-2-one is C=CC[C@@H](c1ccccc1)[C@H]1COC(=O)N1C.
What is the InChIKey of (4S)-3-methyl-4-[(1S)-1-phenylbut-3-enyl]-1,3-oxazolidin-2-one?
The InChIKey is RBSQKUMAGREXIL-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-7-12(11-8-5-4-6-9-11)13-10-17-14(16)15(13)2/h3-6,8-9,12-13H,1,7,10H2,2H3/t12-,13+/m0/s1.
What are the key properties of (4S)-3-methyl-4-[(1S)-1-phenylbut-3-enyl]-1,3-oxazolidin-2-one?
(4S)-3-methyl-4-[(1S)-1-phenylbut-3-enyl]-1,3-oxazolidin-2-one has a molecular weight of 231.30 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-methyl-4-[(1S)-1-phenylbut-3-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 59918948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).