5,5-dimethyl-3-[(2-nitrophenyl)methyl]-1,3-oxazolidine

C12H16N2O3 — CID 151165345

IUPAC5,5-dimethyl-3-[(2-nitrophenyl)methyl]-1,3-oxazolidine
SMILESCC1(C)CN(Cc2ccccc2[N+](=O)[O-])CO1
InChIInChI=1S/C12H16N2O3/c1-12(2)8-13(9-17-12)7-10-5-3-4-6-11(10)14(15)16/h3-6H,7-9H2,1-2H3
InChIKeyNBCZOVDTOZSFMC-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.16
Rot. Bonds3

About 5,5-dimethyl-3-[(2-nitrophenyl)methyl]-1,3-oxazolidine

5,5-dimethyl-3-[(2-nitrophenyl)methyl]-1,3-oxazolidine (PubChem CID 151165345) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5,5-dimethyl-3-[(2-nitrophenyl)methyl]-1,3-oxazolidine.

Molecular Properties

Compound Name5,5-dimethyl-3-[(2-nitrophenyl)methyl]-1,3-oxazolidine
PubChem CID151165345
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name5,5-dimethyl-3-[(2-nitrophenyl)methyl]-1,3-oxazolidine
SMILESCC1(C)CN(Cc2ccccc2[N+](=O)[O-])CO1
InChIInChI=1S/C12H16N2O3/c1-12(2)8-13(9-17-12)7-10-5-3-4-6-11(10)14(15)16/h3-6H,7-9H2,1-2H3
InChIKeyNBCZOVDTOZSFMC-UHFFFAOYSA-N
XLogP2.16
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.16
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

4,4-dimethyl-1-[(2-nitrophenyl)methyl]piperidine
CID 174618434
4-methyl-1-[(2-nitrophenyl)methyl]piperidin-4-ol
CID 80702501
2-nitro-6-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]aniline
CID 107351631
2-nitro-6-[(2,2,6-trimethylmorpholin-4-yl)methyl]aniline
CID 107351068
1-[(2-nitrophenyl)methyl]piperidin-4-amine
CID 29009713
1-[(2-nitrophenyl)methyl]piperidin-4-amine;hydrochloride
CID 119908068
N-[(1-methylcyclobutyl)methyl]-1-(2-nitrophenyl)methanamine
CID 103735801
3-methyl-5-[(2-nitrophenyl)methyl]-1,3,5-oxadiazinan-4-one
CID 66709669
1-(azetidin-3-yl)-4-[(2-nitrophenyl)methyl]piperazine
CID 66201551
N,N-dimethyl-2-[4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl]acetamide
CID 37107425
N-methyl-1-[(2-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905707
1-[(4-methoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine
CID 9130212

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[(2-nitrophenyl)methyl]-1,3-oxazolidine?
The IUPAC name of 5,5-dimethyl-3-[(2-nitrophenyl)methyl]-1,3-oxazolidine (CID 151165345) is 5,5-dimethyl-3-[(2-nitrophenyl)methyl]-1,3-oxazolidine.
What is the SMILES notation for 5,5-dimethyl-3-[(2-nitrophenyl)methyl]-1,3-oxazolidine?
The canonical SMILES for 5,5-dimethyl-3-[(2-nitrophenyl)methyl]-1,3-oxazolidine is CC1(C)CN(Cc2ccccc2[N+](=O)[O-])CO1.
What is the InChIKey of 5,5-dimethyl-3-[(2-nitrophenyl)methyl]-1,3-oxazolidine?
The InChIKey is NBCZOVDTOZSFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-12(2)8-13(9-17-12)7-10-5-3-4-6-11(10)14(15)16/h3-6H,7-9H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-[(2-nitrophenyl)methyl]-1,3-oxazolidine?
5,5-dimethyl-3-[(2-nitrophenyl)methyl]-1,3-oxazolidine has a molecular weight of 236.27 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[(2-nitrophenyl)methyl]-1,3-oxazolidine is sourced from PubChem (CID 151165345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).