(2R,5S)-2-(2-chlorophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine

C15H13ClN2O3 — CID 726620

IUPAC(2R,5S)-2-(2-chlorophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine
SMILESO=[N+]([O-])c1ccc([C@H]2CN[C@@H](c3ccccc3Cl)O2)cc1
InChIInChI=1S/C15H13ClN2O3/c16-13-4-2-1-3-12(13)15-17-9-14(21-15)10-5-7-11(8-6-10)18(19)20/h1-8,14-15,17H,9H2/t14-,15-/m1/s1
InChIKeyHDEINWKFOMDNAV-HUUCEWRRSA-N
MW304.73 g/mol
LogP3.61
Rot. Bonds3

About (2R,5S)-2-(2-chlorophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine

(2R,5S)-2-(2-chlorophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine (PubChem CID 726620) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is (2R,5S)-2-(2-chlorophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(2R,5S)-2-(2-chlorophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine
PubChem CID726620
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name(2R,5S)-2-(2-chlorophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine
SMILESO=[N+]([O-])c1ccc([C@H]2CN[C@@H](c3ccccc3Cl)O2)cc1
InChIInChI=1S/C15H13ClN2O3/c16-13-4-2-1-3-12(13)15-17-9-14(21-15)10-5-7-11(8-6-10)18(19)20/h1-8,14-15,17H,9H2/t14-,15-/m1/s1
InChIKeyHDEINWKFOMDNAV-HUUCEWRRSA-N
XLogP3.61
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dichlorophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine
CID 69234335
(2R,5S)-2-(2-methoxyphenyl)-5-(4-nitrophenyl)-1,3-oxazolidine
CID 765982
(2R,5R)-2-(3-nitrophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine
CID 6999249
N,N-dimethyl-4-[(2R,5R)-5-(4-nitrophenyl)-1,3-oxazolidin-2-yl]aniline
CID 794908
N,N-diethyl-4-[(2S,5R)-5-(4-nitrophenyl)-1,3-oxazolidin-2-yl]aniline
CID 743655
(2S,6S)-2-(4-nitrophenyl)-6-phenyl-1,3-oxazinan-4-one
CID 102323795
(2R,5R)-2,5-bis(4-nitrophenyl)oxolane
CID 14770197
(1S,3R)-1-methyl-3-(4-nitrophenyl)-3,4-dihydro-1H-isochromene
CID 15425708
(2R,4S,6S)-2,4-bis(4-nitrophenyl)-6-phenyl-1,3-dioxane
CID 100817075
2-(4-nitrophenyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazine
CID 596509
(2S)-2-(2-chlorophenyl)-1-(4-nitrophenyl)sulfonylaziridine
CID 71416019
5,5-dimethyl-2-(4-nitrophenyl)morpholine
CID 154639657

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-(2-chlorophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine?
The IUPAC name of (2R,5S)-2-(2-chlorophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine (CID 726620) is (2R,5S)-2-(2-chlorophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine.
What is the SMILES notation for (2R,5S)-2-(2-chlorophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine?
The canonical SMILES for (2R,5S)-2-(2-chlorophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine is O=[N+]([O-])c1ccc([C@H]2CN[C@@H](c3ccccc3Cl)O2)cc1.
What is the InChIKey of (2R,5S)-2-(2-chlorophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine?
The InChIKey is HDEINWKFOMDNAV-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-13-4-2-1-3-12(13)15-17-9-14(21-15)10-5-7-11(8-6-10)18(19)20/h1-8,14-15,17H,9H2/t14-,15-/m1/s1.
What are the key properties of (2R,5S)-2-(2-chlorophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine?
(2R,5S)-2-(2-chlorophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine has a molecular weight of 304.73 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-(2-chlorophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine is sourced from PubChem (CID 726620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).