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

C14H17NO3 — CID 11379623

IUPAC(4S,5S)-5-(phenylmethoxymethyl)-4-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CC[C@@H]1NC(=O)O[C@@H]1COCc1ccccc1
InChIInChI=1S/C14H17NO3/c1-2-6-12-13(18-14(16)15-12)10-17-9-11-7-4-3-5-8-11/h2-5,7-8,12-13H,1,6,9-10H2,(H,15,16)/t12-,13+/m0/s1
InChIKeyOIUOGOCDXZETIN-QWHCGFSZSA-N
MW247.29 g/mol
LogP2.26
Rot. Bonds6

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

(4S,5S)-5-(phenylmethoxymethyl)-4-prop-2-enyl-1,3-oxazolidin-2-one (PubChem CID 11379623) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is (4S,5S)-5-(phenylmethoxymethyl)-4-prop-2-enyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-5-(phenylmethoxymethyl)-4-prop-2-enyl-1,3-oxazolidin-2-one
PubChem CID11379623
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name(4S,5S)-5-(phenylmethoxymethyl)-4-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CC[C@@H]1NC(=O)O[C@@H]1COCc1ccccc1
InChIInChI=1S/C14H17NO3/c1-2-6-12-13(18-14(16)15-12)10-17-9-11-7-4-3-5-8-11/h2-5,7-8,12-13H,1,6,9-10H2,(H,15,16)/t12-,13+/m0/s1
InChIKeyOIUOGOCDXZETIN-QWHCGFSZSA-N
XLogP2.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-(phenylmethoxymethyl)-4-prop-2-enyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-5-(phenylmethoxymethyl)-4-prop-2-enyl-1,3-oxazolidin-2-one (CID 11379623) is (4S,5S)-5-(phenylmethoxymethyl)-4-prop-2-enyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-5-(phenylmethoxymethyl)-4-prop-2-enyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-5-(phenylmethoxymethyl)-4-prop-2-enyl-1,3-oxazolidin-2-one is C=CC[C@@H]1NC(=O)O[C@@H]1COCc1ccccc1.
What is the InChIKey of (4S,5S)-5-(phenylmethoxymethyl)-4-prop-2-enyl-1,3-oxazolidin-2-one?
The InChIKey is OIUOGOCDXZETIN-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-6-12-13(18-14(16)15-12)10-17-9-11-7-4-3-5-8-11/h2-5,7-8,12-13H,1,6,9-10H2,(H,15,16)/t12-,13+/m0/s1.
What are the key properties of (4S,5S)-5-(phenylmethoxymethyl)-4-prop-2-enyl-1,3-oxazolidin-2-one?
(4S,5S)-5-(phenylmethoxymethyl)-4-prop-2-enyl-1,3-oxazolidin-2-one has a molecular weight of 247.29 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-(phenylmethoxymethyl)-4-prop-2-enyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11379623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).