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

C10H12N2O3 — CID 101429995

IUPAC2-(4-methoxyphenyl)-3-nitroso-1,3-oxazolidine
SMILESCOc1ccc(C2OCCN2N=O)cc1
InChIInChI=1S/C10H12N2O3/c1-14-9-4-2-8(3-5-9)10-12(11-13)6-7-15-10/h2-5,10H,6-7H2,1H3
InChIKeyLJUFESKXBLJWFO-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.71
Rot. Bonds3

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

2-(4-methoxyphenyl)-3-nitroso-1,3-oxazolidine (PubChem CID 101429995) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-nitroso-1,3-oxazolidine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-nitroso-1,3-oxazolidine
PubChem CID101429995
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-(4-methoxyphenyl)-3-nitroso-1,3-oxazolidine
SMILESCOc1ccc(C2OCCN2N=O)cc1
InChIInChI=1S/C10H12N2O3/c1-14-9-4-2-8(3-5-9)10-12(11-13)6-7-15-10/h2-5,10H,6-7H2,1H3
InChIKeyLJUFESKXBLJWFO-UHFFFAOYSA-N
XLogP1.71
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.71
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-methoxyphenyl)-3-nitroso-4-phenyl-1,3-oxazolidine
CID 102477659
3-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-(4-methoxyphenyl)-1,3-oxazolidine
CID 4668228
2-(4-methoxyphenyl)oxolane-3-carbaldehyde
CID 2763136
1-[2-(4-methoxyphenyl)morpholin-4-yl]-2-methylpropan-1-one
CID 110327157
3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 15202863
4-benzyl-7-(4-methoxyphenyl)-1,4-oxazepane
CID 155814589
2-(4-methoxyphenyl)-4-(2-methylphenyl)sulfonylmorpholine
CID 110327287
(3,5-dimethoxyphenyl)-[2-(4-methoxyphenyl)morpholin-4-yl]methanone
CID 110327180
4-(4-ethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine
CID 110327245
4-(3,4-dimethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine
CID 110327242
2-(4-methoxyphenyl)-4-(4-propan-2-ylphenyl)sulfonylmorpholine
CID 110327247
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 2-(4-methoxyphenyl)-3-nitroso-1,3-oxazolidine?
The IUPAC name of 2-(4-methoxyphenyl)-3-nitroso-1,3-oxazolidine (CID 101429995) is 2-(4-methoxyphenyl)-3-nitroso-1,3-oxazolidine.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-nitroso-1,3-oxazolidine?
The canonical SMILES for 2-(4-methoxyphenyl)-3-nitroso-1,3-oxazolidine is COc1ccc(C2OCCN2N=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-nitroso-1,3-oxazolidine?
The InChIKey is LJUFESKXBLJWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-14-9-4-2-8(3-5-9)10-12(11-13)6-7-15-10/h2-5,10H,6-7H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-3-nitroso-1,3-oxazolidine?
2-(4-methoxyphenyl)-3-nitroso-1,3-oxazolidine has a molecular weight of 208.22 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-nitroso-1,3-oxazolidine is sourced from PubChem (CID 101429995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).