(4R)-4-pyren-1-yl-1,3-oxazolidin-2-one

C19H13NO2 — CID 171184795

IUPAC(4R)-4-pyren-1-yl-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2ccc3ccc4cccc5ccc2c3c45)CO1
InChIInChI=1S/C19H13NO2/c21-19-20-16(10-22-19)14-8-6-13-5-4-11-2-1-3-12-7-9-15(14)18(13)17(11)12/h1-9,16H,10H2,(H,20,21)/t16-/m0/s1
InChIKeyVWHMPEXJARFNDW-INIZCTEOSA-N
MW287.32 g/mol
LogP4.36
Rot. Bonds1

About (4R)-4-pyren-1-yl-1,3-oxazolidin-2-one

(4R)-4-pyren-1-yl-1,3-oxazolidin-2-one (PubChem CID 171184795) has the molecular formula C19H13NO2 and a molecular weight of 287.32 g/mol. Its IUPAC name is (4R)-4-pyren-1-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-pyren-1-yl-1,3-oxazolidin-2-one
PubChem CID171184795
Molecular FormulaC19H13NO2
Molecular Weight287.32 g/mol
Exact Mass287.09
IUPAC Name(4R)-4-pyren-1-yl-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2ccc3ccc4cccc5ccc2c3c45)CO1
InChIInChI=1S/C19H13NO2/c21-19-20-16(10-22-19)14-8-6-13-5-4-11-2-1-3-12-7-9-15(14)18(13)17(11)12/h1-9,16H,10H2,(H,20,21)/t16-/m0/s1
InChIKeyVWHMPEXJARFNDW-INIZCTEOSA-N
XLogP4.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-pyren-1-yl-1,3-oxazinan-2-one;hydrochloride
CID 171185446
(4S)-5,5-difluoro-4-pyren-1-yl-1,3-oxazinan-2-one
CID 171187491
(2R)-2-pyren-1-ylazetidine;hydrochloride
CID 171197548
(4R)-4-phenyl-1,3-oxazolidin-2-one;hydrochloride
CID 171184730
4-(2-iodophenyl)-1,3-oxazolidin-2-one
CID 130156491
(4R)-4-(2,3-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184393
(4S)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazolidin-2-one
CID 171184161
(4S)-4-(3-bromo-2-fluorophenyl)-1,3-oxazolidin-2-one
CID 130692620
(4R)-4-(2-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one
CID 131085137
1-cyclopentylpyrene
CID 101173318
(4S)-4-(2-chloroquinolin-3-yl)-1,3-oxazolidin-2-one
CID 171252851
(4R)-4-[3-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 171184655

Frequently Asked Questions

What is the IUPAC name of (4R)-4-pyren-1-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-pyren-1-yl-1,3-oxazolidin-2-one (CID 171184795) is (4R)-4-pyren-1-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-pyren-1-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-pyren-1-yl-1,3-oxazolidin-2-one is O=C1N[C@H](c2ccc3ccc4cccc5ccc2c3c45)CO1.
What is the InChIKey of (4R)-4-pyren-1-yl-1,3-oxazolidin-2-one?
The InChIKey is VWHMPEXJARFNDW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H13NO2/c21-19-20-16(10-22-19)14-8-6-13-5-4-11-2-1-3-12-7-9-15(14)18(13)17(11)12/h1-9,16H,10H2,(H,20,21)/t16-/m0/s1.
What are the key properties of (4R)-4-pyren-1-yl-1,3-oxazolidin-2-one?
(4R)-4-pyren-1-yl-1,3-oxazolidin-2-one has a molecular weight of 287.32 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-pyren-1-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 171184795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).