(4S)-3-[(E)-3-(4-aminophenyl)prop-2-enoyl]-4-benzyl-1,3-oxazolidin-2-one

C19H18N2O3 — CID 10087482

IUPAC(4S)-3-[(E)-3-(4-aminophenyl)prop-2-enoyl]-4-benzyl-1,3-oxazolidin-2-one
SMILESNc1ccc(/C=C/C(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)cc1
InChIInChI=1S/C19H18N2O3/c20-16-9-6-14(7-10-16)8-11-18(22)21-17(13-24-19(21)23)12-15-4-2-1-3-5-15/h1-11,17H,12-13,20H2/b11-8+/t17-/m0/s1
InChIKeyCXFHQDJCQOWJME-YRYLYKBFSA-N
MW322.36 g/mol
LogP2.87
Rot. Bonds4

About (4S)-3-[(E)-3-(4-aminophenyl)prop-2-enoyl]-4-benzyl-1,3-oxazolidin-2-one

(4S)-3-[(E)-3-(4-aminophenyl)prop-2-enoyl]-4-benzyl-1,3-oxazolidin-2-one (PubChem CID 10087482) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is (4S)-3-[(E)-3-(4-aminophenyl)prop-2-enoyl]-4-benzyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(E)-3-(4-aminophenyl)prop-2-enoyl]-4-benzyl-1,3-oxazolidin-2-one
PubChem CID10087482
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name(4S)-3-[(E)-3-(4-aminophenyl)prop-2-enoyl]-4-benzyl-1,3-oxazolidin-2-one
SMILESNc1ccc(/C=C/C(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)cc1
InChIInChI=1S/C19H18N2O3/c20-16-9-6-14(7-10-16)8-11-18(22)21-17(13-24-19(21)23)12-15-4-2-1-3-5-15/h1-11,17H,12-13,20H2/b11-8+/t17-/m0/s1
InChIKeyCXFHQDJCQOWJME-YRYLYKBFSA-N
XLogP2.87
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(S)-4-(4-Aminobenzyl)oxazolidin-2-one
CID 7099156
3-(2-(4-Aminophenyl)ethyl)-1,3-oxazolidin-2-one
CID 10703476
3-[(4-Aminophenyl)methyl]-1,3-oxazolidin-2-one
CID 18624560
3-[6-(4-Aminophenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 145977453
(Z)-N-((2-oxo-3-phenyloxazolidin-5-yl)methyl)-3-phenylacrylamide
CID 16920472
(4S)-4-benzyl-3-[(2E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one
CID 10470464
(R)-4-(4-Aminobenzyl)-2-oxazolidinone
CID 11842283
4-Benzyl-3-phenyl-1,3-oxazolidin-2-one
CID 21940665
(4S)-4-Benzyl-3-(3-phenylprop-2-enoyl)-1,3-oxazolidin-2-one
CID 53978559
3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxo-N-[4-(trifluoromethyl)phenyl]propanamide
CID 10905576
(R)-4-(4-Aminobenzyl)oxazolidin-2-one
CID 7016241
(3S)-3-acetyl-4-benzyl-3-(4-fluorophenyl)-1,3-oxazolidin-3-ium-2-one
CID 70238929

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(E)-3-(4-aminophenyl)prop-2-enoyl]-4-benzyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(E)-3-(4-aminophenyl)prop-2-enoyl]-4-benzyl-1,3-oxazolidin-2-one (CID 10087482) is (4S)-3-[(E)-3-(4-aminophenyl)prop-2-enoyl]-4-benzyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(E)-3-(4-aminophenyl)prop-2-enoyl]-4-benzyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(E)-3-(4-aminophenyl)prop-2-enoyl]-4-benzyl-1,3-oxazolidin-2-one is Nc1ccc(/C=C/C(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)cc1.
What is the InChIKey of (4S)-3-[(E)-3-(4-aminophenyl)prop-2-enoyl]-4-benzyl-1,3-oxazolidin-2-one?
The InChIKey is CXFHQDJCQOWJME-YRYLYKBFSA-N. The full InChI is InChI=1S/C19H18N2O3/c20-16-9-6-14(7-10-16)8-11-18(22)21-17(13-24-19(21)23)12-15-4-2-1-3-5-15/h1-11,17H,12-13,20H2/b11-8+/t17-/m0/s1.
What are the key properties of (4S)-3-[(E)-3-(4-aminophenyl)prop-2-enoyl]-4-benzyl-1,3-oxazolidin-2-one?
(4S)-3-[(E)-3-(4-aminophenyl)prop-2-enoyl]-4-benzyl-1,3-oxazolidin-2-one has a molecular weight of 322.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(E)-3-(4-aminophenyl)prop-2-enoyl]-4-benzyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10087482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).