(5S)-3-[(1R)-1-phenylethyl]-5-(pyrene-2-carbonyl)-1,3-oxazolidin-2-one

C28H21NO3 — CID 11122628

IUPAC(5S)-3-[(1R)-1-phenylethyl]-5-(pyrene-2-carbonyl)-1,3-oxazolidin-2-one
SMILESC[C@H](c1ccccc1)N1C[C@@H](C(=O)c2cc3ccc4cccc5ccc(c2)c3c45)OC1=O
InChIInChI=1S/C28H21NO3/c1-17(18-6-3-2-4-7-18)29-16-24(32-28(29)31)27(30)23-14-21-12-10-19-8-5-9-20-11-13-22(15-23)26(21)25(19)20/h2-15,17,24H,16H2,1H3/t17-,24+/m1/s1
InChIKeyZGDFCXHYDYVKIZ-OSPHWJPCSA-N
MW419.48 g/mol
LogP6.35
Rot. Bonds4

About (5S)-3-[(1R)-1-phenylethyl]-5-(pyrene-2-carbonyl)-1,3-oxazolidin-2-one

(5S)-3-[(1R)-1-phenylethyl]-5-(pyrene-2-carbonyl)-1,3-oxazolidin-2-one (PubChem CID 11122628) has the molecular formula C28H21NO3 and a molecular weight of 419.48 g/mol. Its IUPAC name is (5S)-3-[(1R)-1-phenylethyl]-5-(pyrene-2-carbonyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-[(1R)-1-phenylethyl]-5-(pyrene-2-carbonyl)-1,3-oxazolidin-2-one
PubChem CID11122628
Molecular FormulaC28H21NO3
Molecular Weight419.48 g/mol
Exact Mass419.15
IUPAC Name(5S)-3-[(1R)-1-phenylethyl]-5-(pyrene-2-carbonyl)-1,3-oxazolidin-2-one
SMILESC[C@H](c1ccccc1)N1C[C@@H](C(=O)c2cc3ccc4cccc5ccc(c2)c3c45)OC1=O
InChIInChI=1S/C28H21NO3/c1-17(18-6-3-2-4-7-18)29-16-24(32-28(29)31)27(30)23-14-21-12-10-19-8-5-9-20-11-13-22(15-23)26(21)25(19)20/h2-15,17,24H,16H2,1H3/t17-,24+/m1/s1
InChIKeyZGDFCXHYDYVKIZ-OSPHWJPCSA-N
XLogP6.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.48
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze (5S)-3-[(1R)-1-phenylethyl]-5-(pyrene-2-carbonyl)-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-5-(4-chlorobenzoyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one
CID 11099554
5-(1-phenylethyl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-4-one
CID 143715156
phenyl-[(2R)-4-[(1S)-1-phenylethyl]morpholin-2-yl]methanone
CID 71094651
(5S)-5-[(3R)-3-(3-methylphenyl)butyl]-3-[(1S)-1-(3-methylphenyl)ethyl]-1,3-oxazolidin-2-one
CID 161384859
3-hydroxy-1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrrolidin-2-one
CID 58335409
3-[2-adamantyl(phenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 168849421
1-[(1S)-1-phenylethyl]-3,6-dihydro-2H-azepin-7-one
CID 135044353
1-(1-phenylethyl)aziridine-2-carboxamide
CID 3891776
2-methyl-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propan-1-one
CID 10965971
2-methyl-1-[(2S)-1-[(1S)-1-phenylethyl]aziridin-2-yl]propan-1-one
CID 131856193
3-methyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 142649009
(1S,5R)-1-acetyl-3-[(1S)-1-phenylethyl]-3-azabicyclo[3.1.0]hexan-2-one
CID 102533006

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(1R)-1-phenylethyl]-5-(pyrene-2-carbonyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-[(1R)-1-phenylethyl]-5-(pyrene-2-carbonyl)-1,3-oxazolidin-2-one (CID 11122628) is (5S)-3-[(1R)-1-phenylethyl]-5-(pyrene-2-carbonyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-[(1R)-1-phenylethyl]-5-(pyrene-2-carbonyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-[(1R)-1-phenylethyl]-5-(pyrene-2-carbonyl)-1,3-oxazolidin-2-one is C[C@H](c1ccccc1)N1C[C@@H](C(=O)c2cc3ccc4cccc5ccc(c2)c3c45)OC1=O.
What is the InChIKey of (5S)-3-[(1R)-1-phenylethyl]-5-(pyrene-2-carbonyl)-1,3-oxazolidin-2-one?
The InChIKey is ZGDFCXHYDYVKIZ-OSPHWJPCSA-N. The full InChI is InChI=1S/C28H21NO3/c1-17(18-6-3-2-4-7-18)29-16-24(32-28(29)31)27(30)23-14-21-12-10-19-8-5-9-20-11-13-22(15-23)26(21)25(19)20/h2-15,17,24H,16H2,1H3/t17-,24+/m1/s1.
What are the key properties of (5S)-3-[(1R)-1-phenylethyl]-5-(pyrene-2-carbonyl)-1,3-oxazolidin-2-one?
(5S)-3-[(1R)-1-phenylethyl]-5-(pyrene-2-carbonyl)-1,3-oxazolidin-2-one has a molecular weight of 419.48 g/mol, XLogP of 6.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(1R)-1-phenylethyl]-5-(pyrene-2-carbonyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11122628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).