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

C16H16N2O4 — CID 765982

IUPAC(2R,5S)-2-(2-methoxyphenyl)-5-(4-nitrophenyl)-1,3-oxazolidine
SMILESCOc1ccccc1[C@@H]1NC[C@H](c2ccc([N+](=O)[O-])cc2)O1
InChIInChI=1S/C16H16N2O4/c1-21-14-5-3-2-4-13(14)16-17-10-15(22-16)11-6-8-12(9-7-11)18(19)20/h2-9,15-17H,10H2,1H3/t15-,16-/m1/s1
InChIKeyRUPFSSOHHXJTKI-HZPDHXFCSA-N
MW300.31 g/mol
LogP2.96
Rot. Bonds4

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

(2R,5S)-2-(2-methoxyphenyl)-5-(4-nitrophenyl)-1,3-oxazolidine (PubChem CID 765982) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is (2R,5S)-2-(2-methoxyphenyl)-5-(4-nitrophenyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(2R,5S)-2-(2-methoxyphenyl)-5-(4-nitrophenyl)-1,3-oxazolidine
PubChem CID765982
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name(2R,5S)-2-(2-methoxyphenyl)-5-(4-nitrophenyl)-1,3-oxazolidine
SMILESCOc1ccccc1[C@@H]1NC[C@H](c2ccc([N+](=O)[O-])cc2)O1
InChIInChI=1S/C16H16N2O4/c1-21-14-5-3-2-4-13(14)16-17-10-15(22-16)11-6-8-12(9-7-11)18(19)20/h2-9,15-17H,10H2,1H3/t15-,16-/m1/s1
InChIKeyRUPFSSOHHXJTKI-HZPDHXFCSA-N
XLogP2.96
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(2R,5S)-2-(2-chlorophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine
CID 726620
(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
2-(2,6-dichlorophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine
CID 69234335
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
(1S,3R)-1-methyl-3-(4-nitrophenyl)-3,4-dihydro-1H-isochromene
CID 15425708
(2R,5R)-2,5-bis(4-nitrophenyl)oxolane
CID 14770197
4-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 133361598
(2R,4S,6S)-2,4-bis(4-nitrophenyl)-6-phenyl-1,3-dioxane
CID 100817075
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide
CID 120753144
(3aR,4S,9bS)-6-methoxy-4-(4-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 749320

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-(2-methoxyphenyl)-5-(4-nitrophenyl)-1,3-oxazolidine?
The IUPAC name of (2R,5S)-2-(2-methoxyphenyl)-5-(4-nitrophenyl)-1,3-oxazolidine (CID 765982) is (2R,5S)-2-(2-methoxyphenyl)-5-(4-nitrophenyl)-1,3-oxazolidine.
What is the SMILES notation for (2R,5S)-2-(2-methoxyphenyl)-5-(4-nitrophenyl)-1,3-oxazolidine?
The canonical SMILES for (2R,5S)-2-(2-methoxyphenyl)-5-(4-nitrophenyl)-1,3-oxazolidine is COc1ccccc1[C@@H]1NC[C@H](c2ccc([N+](=O)[O-])cc2)O1.
What is the InChIKey of (2R,5S)-2-(2-methoxyphenyl)-5-(4-nitrophenyl)-1,3-oxazolidine?
The InChIKey is RUPFSSOHHXJTKI-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-21-14-5-3-2-4-13(14)16-17-10-15(22-16)11-6-8-12(9-7-11)18(19)20/h2-9,15-17H,10H2,1H3/t15-,16-/m1/s1.
What are the key properties of (2R,5S)-2-(2-methoxyphenyl)-5-(4-nitrophenyl)-1,3-oxazolidine?
(2R,5S)-2-(2-methoxyphenyl)-5-(4-nitrophenyl)-1,3-oxazolidine has a molecular weight of 300.31 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-(2-methoxyphenyl)-5-(4-nitrophenyl)-1,3-oxazolidine is sourced from PubChem (CID 765982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).