(4S)-4-Benzyl-3-(3-phenylprop-2-enoyl)-1,3-oxazolidin-2-one

C19H17NO3 — CID 53978559

IUPAC(4S)-4-benzyl-3-(3-phenylprop-2-enoyl)-1,3-oxazolidin-2-one
SMILESC1[C@@H](N(C(=O)O1)C(=O)C=CC2=CC=CC=C2)CC3=CC=CC=C3
InChIInChI=1S/C19H17NO3/c21-18(12-11-15-7-3-1-4-8-15)20-17(14-23-19(20)22)13-16-9-5-2-6-10-16/h1-12,17H,13-14H2/t17-/m0/s1
InChIKeyJWRBSVRDVDBQOA-KRWDZBQOSA-N
MW307.30 g/mol
LogP3.80
Rot. Bonds4

About (4S)-4-Benzyl-3-(3-phenylprop-2-enoyl)-1,3-oxazolidin-2-one

(4S)-4-Benzyl-3-(3-phenylprop-2-enoyl)-1,3-oxazolidin-2-one (PubChem CID 53978559) has the molecular formula C19H17NO3 and a molecular weight of 307.30 g/mol. Its IUPAC name is (4S)-4-benzyl-3-(3-phenylprop-2-enoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-Benzyl-3-(3-phenylprop-2-enoyl)-1,3-oxazolidin-2-one
PubChem CID53978559
Molecular FormulaC19H17NO3
Molecular Weight307.30 g/mol
Exact Mass307.12
IUPAC Name(4S)-4-benzyl-3-(3-phenylprop-2-enoyl)-1,3-oxazolidin-2-one
SMILESC1[C@@H](N(C(=O)O1)C(=O)C=CC2=CC=CC=C2)CC3=CC=CC=C3
InChIInChI=1S/C19H17NO3/c21-18(12-11-15-7-3-1-4-8-15)20-17(14-23-19(20)22)13-16-9-5-2-6-10-16/h1-12,17H,13-14H2/t17-/m0/s1
InChIKeyJWRBSVRDVDBQOA-KRWDZBQOSA-N
XLogP3.80
TPSA46.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity448

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(S)-(+)-3-Acetyl-4-benzyl-2-oxazolidinone
CID 735929
(4S)-4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one
CID 2733696
Locostatin
CID 5702600
(4R)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134136675
3-[4-[Benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134150074
(4S)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134157470
2-Oxazolidinone, 3-(1-oxodecyl)-4-(phenylmethyl)-, (4S)-
CID 10496737
4-Benzyl-3-propionyl-1,3-oxazolidine
CID 11842098
(4S)-3-[(2E)-But-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 5469245
(S)-4-Benzyl-3-chloroacetyl-2-oxazolidinone
CID 10879628
4-Benzyl-2,2-dimethyl-3-propionyl-1,3-oxazolidine
CID 11842087
4-Benzyl-3-crotonyl-2-oxazolidinone
CID 6383358

Frequently Asked Questions

What is the IUPAC name of (4S)-4-Benzyl-3-(3-phenylprop-2-enoyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-Benzyl-3-(3-phenylprop-2-enoyl)-1,3-oxazolidin-2-one (CID 53978559) is (4S)-4-benzyl-3-(3-phenylprop-2-enoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-Benzyl-3-(3-phenylprop-2-enoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-Benzyl-3-(3-phenylprop-2-enoyl)-1,3-oxazolidin-2-one is C1[C@@H](N(C(=O)O1)C(=O)C=CC2=CC=CC=C2)CC3=CC=CC=C3.
What is the InChIKey of (4S)-4-Benzyl-3-(3-phenylprop-2-enoyl)-1,3-oxazolidin-2-one?
The InChIKey is JWRBSVRDVDBQOA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H17NO3/c21-18(12-11-15-7-3-1-4-8-15)20-17(14-23-19(20)22)13-16-9-5-2-6-10-16/h1-12,17H,13-14H2/t17-/m0/s1.
What are the key properties of (4S)-4-Benzyl-3-(3-phenylprop-2-enoyl)-1,3-oxazolidin-2-one?
(4S)-4-Benzyl-3-(3-phenylprop-2-enoyl)-1,3-oxazolidin-2-one has a molecular weight of 307.30 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-Benzyl-3-(3-phenylprop-2-enoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 53978559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).