(2S,4S)-2-(4-methoxyphenyl)-3-nitroso-4-phenyl-1,3-oxazolidine

C16H16N2O3 — CID 102477659

IUPAC(2S,4S)-2-(4-methoxyphenyl)-3-nitroso-4-phenyl-1,3-oxazolidine
SMILESCOc1ccc([C@@H]2OC[C@H](c3ccccc3)N2N=O)cc1
InChIInChI=1S/C16H16N2O3/c1-20-14-9-7-13(8-10-14)16-18(17-19)15(11-21-16)12-5-3-2-4-6-12/h2-10,15-16H,11H2,1H3/t15-,16+/m1/s1
InChIKeyXVYYHYWIQRGIDY-CVEARBPZSA-N
MW284.32 g/mol
LogP3.45
Rot. Bonds4

About (2S,4S)-2-(4-methoxyphenyl)-3-nitroso-4-phenyl-1,3-oxazolidine

(2S,4S)-2-(4-methoxyphenyl)-3-nitroso-4-phenyl-1,3-oxazolidine (PubChem CID 102477659) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is (2S,4S)-2-(4-methoxyphenyl)-3-nitroso-4-phenyl-1,3-oxazolidine.

Molecular Properties

Compound Name(2S,4S)-2-(4-methoxyphenyl)-3-nitroso-4-phenyl-1,3-oxazolidine
PubChem CID102477659
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name(2S,4S)-2-(4-methoxyphenyl)-3-nitroso-4-phenyl-1,3-oxazolidine
SMILESCOc1ccc([C@@H]2OC[C@H](c3ccccc3)N2N=O)cc1
InChIInChI=1S/C16H16N2O3/c1-20-14-9-7-13(8-10-14)16-18(17-19)15(11-21-16)12-5-3-2-4-6-12/h2-10,15-16H,11H2,1H3/t15-,16+/m1/s1
InChIKeyXVYYHYWIQRGIDY-CVEARBPZSA-N
XLogP3.45
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-(4-methoxyphenyl)-3-nitroso-4-phenyl-1,3-oxazolidine?
The IUPAC name of (2S,4S)-2-(4-methoxyphenyl)-3-nitroso-4-phenyl-1,3-oxazolidine (CID 102477659) is (2S,4S)-2-(4-methoxyphenyl)-3-nitroso-4-phenyl-1,3-oxazolidine.
What is the SMILES notation for (2S,4S)-2-(4-methoxyphenyl)-3-nitroso-4-phenyl-1,3-oxazolidine?
The canonical SMILES for (2S,4S)-2-(4-methoxyphenyl)-3-nitroso-4-phenyl-1,3-oxazolidine is COc1ccc([C@@H]2OC[C@H](c3ccccc3)N2N=O)cc1.
What is the InChIKey of (2S,4S)-2-(4-methoxyphenyl)-3-nitroso-4-phenyl-1,3-oxazolidine?
The InChIKey is XVYYHYWIQRGIDY-CVEARBPZSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-20-14-9-7-13(8-10-14)16-18(17-19)15(11-21-16)12-5-3-2-4-6-12/h2-10,15-16H,11H2,1H3/t15-,16+/m1/s1.
What are the key properties of (2S,4S)-2-(4-methoxyphenyl)-3-nitroso-4-phenyl-1,3-oxazolidine?
(2S,4S)-2-(4-methoxyphenyl)-3-nitroso-4-phenyl-1,3-oxazolidine has a molecular weight of 284.32 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-(4-methoxyphenyl)-3-nitroso-4-phenyl-1,3-oxazolidine is sourced from PubChem (CID 102477659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).