(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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Related Compounds

(2S,4S)-2-(4-nitrophenyl)-3-nitroso-4-phenyl-1,3-oxazolidine
CID 102477658
2-(4-methoxyphenyl)-3-nitroso-1,3-oxazolidine
CID 101429995
1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439
(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium
CID 10259813
(2R,4R)-2-(4-bromophenyl)-3-methyl-4-phenyl-1,3-oxazolidine
CID 14738791
(4-methoxyphenyl)-phenyliodanium bromide
CID 11058256
3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 15202863
(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10354907
(2S,3R,6R)-3-ethyl-2,6-bis(4-methoxyphenyl)-1-nitrosopiperidin-4-one
CID 139076959
(3R,8S,8aS)-8-(4-methoxyphenyl)-8a-methyl-3-phenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 102024515
(4S)-3-(3-methoxyphenyl)-4-phenyl-1,3-oxazolidin-2-one
CID 34179074
6-methoxy-3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 142734609

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).