2-ethyl-5-(4-nitrophenyl)-2-phenyl-1,3-oxazolidine

C17H18N2O3 — CID 3606435

IUPAC2-ethyl-5-(4-nitrophenyl)-2-phenyl-1,3-oxazolidine
SMILESCCC1(c2ccccc2)NCC(c2ccc([N+](=O)[O-])cc2)O1
InChIInChI=1S/C17H18N2O3/c1-2-17(14-6-4-3-5-7-14)18-12-16(22-17)13-8-10-15(11-9-13)19(20)21/h3-11,16,18H,2,12H2,1H3
InChIKeyCPJYYDBCWATBAP-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.52
Rot. Bonds4

About 2-ethyl-5-(4-nitrophenyl)-2-phenyl-1,3-oxazolidine

2-ethyl-5-(4-nitrophenyl)-2-phenyl-1,3-oxazolidine (PubChem CID 3606435) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-ethyl-5-(4-nitrophenyl)-2-phenyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-ethyl-5-(4-nitrophenyl)-2-phenyl-1,3-oxazolidine
PubChem CID3606435
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-ethyl-5-(4-nitrophenyl)-2-phenyl-1,3-oxazolidine
SMILESCCC1(c2ccccc2)NCC(c2ccc([N+](=O)[O-])cc2)O1
InChIInChI=1S/C17H18N2O3/c1-2-17(14-6-4-3-5-7-14)18-12-16(22-17)13-8-10-15(11-9-13)19(20)21/h3-11,16,18H,2,12H2,1H3
InChIKeyCPJYYDBCWATBAP-UHFFFAOYSA-N
XLogP3.52
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
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

2-Benzylamino-1-(4-nitro-phenyl)-ethanol
CID 2735476
Diethyl-{4-[5-(4-nitro-phenyl)-oxazolidin-2-yl]-phenyl}-amine
CID 2802261
5-(3-Nitrophenyl)-3-(4-phenylbutan-2-yl)-1,3-oxazolidine-2-thione
CID 3728444
(1S,5R)-8-methyl-3-[(4-nitrophenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane
CID 10428089
5-(4-Nitrophenyl)-2-phenyl-1,3-oxazolidine
CID 2849781
2-(4-Nitrophenyl)-4-propan-2-ylmorpholine;hydrochloride
CID 90674350
Oxazolidine, 3-methyl-2-(p-nitrophenyl)-
CID 218557
2-(4-Nitrophenyl)morpholine hydrochloride
CID 12514750
4-Methyl-2-(4-nitrophenyl)morpholine;hydrochloride
CID 12514752
4-Tert-butyl-2-(4-nitrophenyl)morpholine;hydrochloride
CID 90674351
2-(4-Nitrophenyl)-4-isopropylmorpholine
CID 3016255
4,4-Diethyl-2-(4-nitrophenyl)-1,4-dihydro-2H-3,1-benzoxazine
CID 555172

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(4-nitrophenyl)-2-phenyl-1,3-oxazolidine?
The IUPAC name of 2-ethyl-5-(4-nitrophenyl)-2-phenyl-1,3-oxazolidine (CID 3606435) is 2-ethyl-5-(4-nitrophenyl)-2-phenyl-1,3-oxazolidine.
What is the SMILES notation for 2-ethyl-5-(4-nitrophenyl)-2-phenyl-1,3-oxazolidine?
The canonical SMILES for 2-ethyl-5-(4-nitrophenyl)-2-phenyl-1,3-oxazolidine is CCC1(c2ccccc2)NCC(c2ccc([N+](=O)[O-])cc2)O1.
What is the InChIKey of 2-ethyl-5-(4-nitrophenyl)-2-phenyl-1,3-oxazolidine?
The InChIKey is CPJYYDBCWATBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-2-17(14-6-4-3-5-7-14)18-12-16(22-17)13-8-10-15(11-9-13)19(20)21/h3-11,16,18H,2,12H2,1H3.
What are the key properties of 2-ethyl-5-(4-nitrophenyl)-2-phenyl-1,3-oxazolidine?
2-ethyl-5-(4-nitrophenyl)-2-phenyl-1,3-oxazolidine has a molecular weight of 298.34 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(4-nitrophenyl)-2-phenyl-1,3-oxazolidine is sourced from PubChem (CID 3606435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).