(4R)-3-benzyl-4-[(1Z,3E)-penta-1,3-dienyl]-1,3-oxazolidin-2-one

C15H17NO2 — CID 10514378

IUPAC(4R)-3-benzyl-4-[(1Z,3E)-penta-1,3-dienyl]-1,3-oxazolidin-2-one
SMILESC/C=C/C=C\[C@@H]1COC(=O)N1Cc1ccccc1
InChIInChI=1S/C15H17NO2/c1-2-3-5-10-14-12-18-15(17)16(14)11-13-8-6-4-7-9-13/h2-10,14H,11-12H2,1H3/b3-2+,10-5-/t14-/m1/s1
InChIKeyWIKCDDAVUGSCQQ-ZXMVQZGASA-N
MW243.31 g/mol
LogP3.14
Rot. Bonds4

About (4R)-3-benzyl-4-[(1Z,3E)-penta-1,3-dienyl]-1,3-oxazolidin-2-one

(4R)-3-benzyl-4-[(1Z,3E)-penta-1,3-dienyl]-1,3-oxazolidin-2-one (PubChem CID 10514378) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (4R)-3-benzyl-4-[(1Z,3E)-penta-1,3-dienyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-benzyl-4-[(1Z,3E)-penta-1,3-dienyl]-1,3-oxazolidin-2-one
PubChem CID10514378
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(4R)-3-benzyl-4-[(1Z,3E)-penta-1,3-dienyl]-1,3-oxazolidin-2-one
SMILESC/C=C/C=C\[C@@H]1COC(=O)N1Cc1ccccc1
InChIInChI=1S/C15H17NO2/c1-2-3-5-10-14-12-18-15(17)16(14)11-13-8-6-4-7-9-13/h2-10,14H,11-12H2,1H3/b3-2+,10-5-/t14-/m1/s1
InChIKeyWIKCDDAVUGSCQQ-ZXMVQZGASA-N
XLogP3.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R)-3-benzyl-4-[(1Z,3E)-penta-1,3-dienyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(2R)-2-[(4S)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]propanal
CID 90414373
(4S)-3-benzyl-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851402
(4R)-4-benzyl-3-[(E)-1-hydroxyprop-1-enyl]-1,3-oxazolidin-2-one
CID 100990536
7-amino-4-benzyl-2,3-dihydro-1,4-benzoxazine-3-carbaldehyde
CID 174562402
(4S,5S)-3-benzyl-4-phenyl-5-[(Z)-prop-1-enyl]-1,3-oxazolidin-2-one
CID 6871923
(4S)-4-benzyl-3-propyl-1,3-oxazolidin-2-one
CID 155294169
(5S)-3-benzyl-5-methyl-1,3-oxazinan-2-one
CID 122420073
4-benzyl-3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one
CID 6383358
3-benzyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115064356
4-(2-azidoethyl)-3-benzyl-1,3-oxazolidin-2-one
CID 53344302
(4R)-4-benzyl-3-methyl-1,3-oxazolidin-2-one
CID 14836208
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929

Frequently Asked Questions

What is the IUPAC name of (4R)-3-benzyl-4-[(1Z,3E)-penta-1,3-dienyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-benzyl-4-[(1Z,3E)-penta-1,3-dienyl]-1,3-oxazolidin-2-one (CID 10514378) is (4R)-3-benzyl-4-[(1Z,3E)-penta-1,3-dienyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-benzyl-4-[(1Z,3E)-penta-1,3-dienyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-benzyl-4-[(1Z,3E)-penta-1,3-dienyl]-1,3-oxazolidin-2-one is C/C=C/C=C\[C@@H]1COC(=O)N1Cc1ccccc1.
What is the InChIKey of (4R)-3-benzyl-4-[(1Z,3E)-penta-1,3-dienyl]-1,3-oxazolidin-2-one?
The InChIKey is WIKCDDAVUGSCQQ-ZXMVQZGASA-N. The full InChI is InChI=1S/C15H17NO2/c1-2-3-5-10-14-12-18-15(17)16(14)11-13-8-6-4-7-9-13/h2-10,14H,11-12H2,1H3/b3-2+,10-5-/t14-/m1/s1.
What are the key properties of (4R)-3-benzyl-4-[(1Z,3E)-penta-1,3-dienyl]-1,3-oxazolidin-2-one?
(4R)-3-benzyl-4-[(1Z,3E)-penta-1,3-dienyl]-1,3-oxazolidin-2-one has a molecular weight of 243.31 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-benzyl-4-[(1Z,3E)-penta-1,3-dienyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10514378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).