(4S,5S)-4-(3-methoxyphenyl)-5-prop-2-enyl-1,3-oxazolidin-2-one

C13H15NO3 — CID 89033364

IUPAC(4S,5S)-4-(3-methoxyphenyl)-5-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CC[C@@H]1OC(=O)N[C@H]1c1cccc(OC)c1
InChIInChI=1S/C13H15NO3/c1-3-5-11-12(14-13(15)17-11)9-6-4-7-10(8-9)16-2/h3-4,6-8,11-12H,1,5H2,2H3,(H,14,15)/t11-,12-/m0/s1
InChIKeyOQQKDWRDYTVUSV-RYUDHWBXSA-N
MW233.27 g/mol
LogP2.42
Rot. Bonds4

About (4S,5S)-4-(3-methoxyphenyl)-5-prop-2-enyl-1,3-oxazolidin-2-one

(4S,5S)-4-(3-methoxyphenyl)-5-prop-2-enyl-1,3-oxazolidin-2-one (PubChem CID 89033364) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is (4S,5S)-4-(3-methoxyphenyl)-5-prop-2-enyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-4-(3-methoxyphenyl)-5-prop-2-enyl-1,3-oxazolidin-2-one
PubChem CID89033364
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name(4S,5S)-4-(3-methoxyphenyl)-5-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CC[C@@H]1OC(=O)N[C@H]1c1cccc(OC)c1
InChIInChI=1S/C13H15NO3/c1-3-5-11-12(14-13(15)17-11)9-6-4-7-10(8-9)16-2/h3-4,6-8,11-12H,1,5H2,2H3,(H,14,15)/t11-,12-/m0/s1
InChIKeyOQQKDWRDYTVUSV-RYUDHWBXSA-N
XLogP2.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R,5R)-5-(3-methoxyphenyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-oxazolidin-2-one
CID 69281903
(4R,5S)-4-(3-bromophenyl)-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 69083647
(5S)-4-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 144623707
4-methoxy-5-prop-2-enyl-1,3-oxazolidin-2-one
CID 14083777
(2R,4R,6R,8S)-2,4,6,8-tetrakis(3-methoxyphenyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 98153067
(4R,5R)-4-(6-bromo-2-pyridinyl)-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 86673405
(4R,5R)-5-(3-methoxyphenyl)-4-[3-(2-methoxy-4-pyridinyl)phenyl]-1,3-oxazolidin-2-one
CID 69281800
(4R,5R)-4-[3-(6-fluoro-3-pyridinyl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 69281889
(4R,5R)-5-(3-methoxyphenyl)-4-[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-2-one
CID 70958507
4-ethenyl-2-(3-methoxyphenyl)-1,3-dioxolane
CID 89178874
(4R,5R)-5-(3-methoxyphenyl)-4-(3-pyrimidin-4-ylphenyl)-1,3-oxazolidin-2-one
CID 70958057
3-[3-[(4R,5R)-5-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-4-yl]phenyl]pyridine-2-carbonitrile
CID 69281890

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-(3-methoxyphenyl)-5-prop-2-enyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-4-(3-methoxyphenyl)-5-prop-2-enyl-1,3-oxazolidin-2-one (CID 89033364) is (4S,5S)-4-(3-methoxyphenyl)-5-prop-2-enyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-4-(3-methoxyphenyl)-5-prop-2-enyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-4-(3-methoxyphenyl)-5-prop-2-enyl-1,3-oxazolidin-2-one is C=CC[C@@H]1OC(=O)N[C@H]1c1cccc(OC)c1.
What is the InChIKey of (4S,5S)-4-(3-methoxyphenyl)-5-prop-2-enyl-1,3-oxazolidin-2-one?
The InChIKey is OQQKDWRDYTVUSV-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H15NO3/c1-3-5-11-12(14-13(15)17-11)9-6-4-7-10(8-9)16-2/h3-4,6-8,11-12H,1,5H2,2H3,(H,14,15)/t11-,12-/m0/s1.
What are the key properties of (4S,5S)-4-(3-methoxyphenyl)-5-prop-2-enyl-1,3-oxazolidin-2-one?
(4S,5S)-4-(3-methoxyphenyl)-5-prop-2-enyl-1,3-oxazolidin-2-one has a molecular weight of 233.27 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-(3-methoxyphenyl)-5-prop-2-enyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 89033364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).