2-[(4-nitrophenyl)methyl]-1,2-oxazolidine

C10H12N2O3 — CID 162439439

IUPAC2-[(4-nitrophenyl)methyl]-1,2-oxazolidine
SMILESO=[N+]([O-])c1ccc(CN2CCCO2)cc1
InChIInChI=1S/C10H12N2O3/c13-12(14)10-4-2-9(3-5-10)8-11-6-1-7-15-11/h2-5H,1,6-8H2
InChIKeyOFOIJQGJWQTESO-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.73
Rot. Bonds3

About 2-[(4-nitrophenyl)methyl]-1,2-oxazolidine

2-[(4-nitrophenyl)methyl]-1,2-oxazolidine (PubChem CID 162439439) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-[(4-nitrophenyl)methyl]-1,2-oxazolidine.

Molecular Properties

Compound Name2-[(4-nitrophenyl)methyl]-1,2-oxazolidine
PubChem CID162439439
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-[(4-nitrophenyl)methyl]-1,2-oxazolidine
SMILESO=[N+]([O-])c1ccc(CN2CCCO2)cc1
InChIInChI=1S/C10H12N2O3/c13-12(14)10-4-2-9(3-5-10)8-11-6-1-7-15-11/h2-5H,1,6-8H2
InChIKeyOFOIJQGJWQTESO-UHFFFAOYSA-N
XLogP1.73
TPSA55.61 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 ≤ 51.73
H-Bond Donors ≤ 50
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

1,4,7,10-tetrakis[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293980
1-(bromomethyl)-4-nitrobenzene;4-(morpholin-4-ylmethyl)aniline
CID 160506473
1-[2-(4-nitrophenyl)ethyl]pyrrolidine
CID 10536901
3-[(4-nitrophenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 23507712
1-[(4-nitrophenyl)methyl]-6-(1,4,8,11-tetrazacyclotetradec-6-yl)-1,4,8,11-tetrazacyclotetradecane
CID 11296475
[4-[(4-nitrophenyl)methyl]morpholin-2-yl]methanol
CID 79833713
3,3-difluoro-1-[(4-nitrophenyl)methyl]piperidine
CID 59410283
(3R)-1-[(4-nitrophenyl)methyl]piperidin-3-ol
CID 764103
2,2-dimethyl-1-[(4-nitrophenyl)methyl]piperazine
CID 65462102
1-[(4-nitrophenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910124
8-[(4-nitrophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane
CID 70436080
1-[(4-nitrophenyl)methyl]azetidin-3-ol
CID 63282077

Frequently Asked Questions

What is the IUPAC name of 2-[(4-nitrophenyl)methyl]-1,2-oxazolidine?
The IUPAC name of 2-[(4-nitrophenyl)methyl]-1,2-oxazolidine (CID 162439439) is 2-[(4-nitrophenyl)methyl]-1,2-oxazolidine.
What is the SMILES notation for 2-[(4-nitrophenyl)methyl]-1,2-oxazolidine?
The canonical SMILES for 2-[(4-nitrophenyl)methyl]-1,2-oxazolidine is O=[N+]([O-])c1ccc(CN2CCCO2)cc1.
What is the InChIKey of 2-[(4-nitrophenyl)methyl]-1,2-oxazolidine?
The InChIKey is OFOIJQGJWQTESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c13-12(14)10-4-2-9(3-5-10)8-11-6-1-7-15-11/h2-5H,1,6-8H2.
What are the key properties of 2-[(4-nitrophenyl)methyl]-1,2-oxazolidine?
2-[(4-nitrophenyl)methyl]-1,2-oxazolidine has a molecular weight of 208.22 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-nitrophenyl)methyl]-1,2-oxazolidine is sourced from PubChem (CID 162439439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).