(2R,4S,5R)-3,4-dimethyl-2-(4-nitrophenyl)-5-phenyl-1,3-oxazolidine

C17H18N2O3 — CID 15815961

IUPAC(2R,4S,5R)-3,4-dimethyl-2-(4-nitrophenyl)-5-phenyl-1,3-oxazolidine
SMILESC[C@H]1[C@@H](c2ccccc2)O[C@H](c2ccc([N+](=O)[O-])cc2)N1C
InChIInChI=1S/C17H18N2O3/c1-12-16(13-6-4-3-5-7-13)22-17(18(12)2)14-8-10-15(11-9-14)19(20)21/h3-12,16-17H,1-2H3/t12-,16-,17+/m0/s1
InChIKeyDIWXCPJCHYIKMG-AFAVFJNCSA-N
MW298.34 g/mol
LogP3.69
Rot. Bonds3

About (2R,4S,5R)-3,4-dimethyl-2-(4-nitrophenyl)-5-phenyl-1,3-oxazolidine

(2R,4S,5R)-3,4-dimethyl-2-(4-nitrophenyl)-5-phenyl-1,3-oxazolidine (PubChem CID 15815961) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is (2R,4S,5R)-3,4-dimethyl-2-(4-nitrophenyl)-5-phenyl-1,3-oxazolidine.

Molecular Properties

Compound Name(2R,4S,5R)-3,4-dimethyl-2-(4-nitrophenyl)-5-phenyl-1,3-oxazolidine
PubChem CID15815961
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name(2R,4S,5R)-3,4-dimethyl-2-(4-nitrophenyl)-5-phenyl-1,3-oxazolidine
SMILESC[C@H]1[C@@H](c2ccccc2)O[C@H](c2ccc([N+](=O)[O-])cc2)N1C
InChIInChI=1S/C17H18N2O3/c1-12-16(13-6-4-3-5-7-13)22-17(18(12)2)14-8-10-15(11-9-14)19(20)21/h3-12,16-17H,1-2H3/t12-,16-,17+/m0/s1
InChIKeyDIWXCPJCHYIKMG-AFAVFJNCSA-N
XLogP3.69
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.69
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'}

Analyze (2R,4S,5R)-3,4-dimethyl-2-(4-nitrophenyl)-5-phenyl-1,3-oxazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
4-(2-Benzhydryloxy-ethyl)-1-(4-nitro-benzyl)-piperidine
CID 9888926
(1S,5R)-8-methyl-3-[(4-nitrophenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane
CID 10428089
(1R,5S)-8-methyl-3-[(3-nitrophenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane
CID 10784187
5-(4-Nitrophenyl)-2-phenyl-1,3-oxazolidine
CID 2849781
(4R)-2-(4-nitrophenyl)-4-(pyrrolidin-1-ylmethyl)-4,5-dihydro-1,3-oxazole
CID 24828464
(5S)-2-(4-nitrophenyl)-5-(pyrrolidin-1-ylmethyl)-4,5-dihydro-1,3-oxazole
CID 24828467
(5R)-2-(4-nitrophenyl)-5-(pyrrolidin-1-ylmethyl)-4,5-dihydro-1,3-oxazole
CID 24828603
N-ethyl-N-[[(5S)-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-yl]methyl]ethanamine
CID 24828746
(4S)-2-(4-nitrophenyl)-4-(pyrrolidin-1-ylmethyl)-4,5-dihydro-1,3-oxazole
CID 24828752
N-ethyl-N-[[(5R)-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-yl]methyl]ethanamine
CID 24828756

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-3,4-dimethyl-2-(4-nitrophenyl)-5-phenyl-1,3-oxazolidine?
The IUPAC name of (2R,4S,5R)-3,4-dimethyl-2-(4-nitrophenyl)-5-phenyl-1,3-oxazolidine (CID 15815961) is (2R,4S,5R)-3,4-dimethyl-2-(4-nitrophenyl)-5-phenyl-1,3-oxazolidine.
What is the SMILES notation for (2R,4S,5R)-3,4-dimethyl-2-(4-nitrophenyl)-5-phenyl-1,3-oxazolidine?
The canonical SMILES for (2R,4S,5R)-3,4-dimethyl-2-(4-nitrophenyl)-5-phenyl-1,3-oxazolidine is C[C@H]1[C@@H](c2ccccc2)O[C@H](c2ccc([N+](=O)[O-])cc2)N1C.
What is the InChIKey of (2R,4S,5R)-3,4-dimethyl-2-(4-nitrophenyl)-5-phenyl-1,3-oxazolidine?
The InChIKey is DIWXCPJCHYIKMG-AFAVFJNCSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-16(13-6-4-3-5-7-13)22-17(18(12)2)14-8-10-15(11-9-14)19(20)21/h3-12,16-17H,1-2H3/t12-,16-,17+/m0/s1.
What are the key properties of (2R,4S,5R)-3,4-dimethyl-2-(4-nitrophenyl)-5-phenyl-1,3-oxazolidine?
(2R,4S,5R)-3,4-dimethyl-2-(4-nitrophenyl)-5-phenyl-1,3-oxazolidine has a molecular weight of 298.34 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-3,4-dimethyl-2-(4-nitrophenyl)-5-phenyl-1,3-oxazolidine is sourced from PubChem (CID 15815961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).