(4S,5R)-5-methyl-N-(4-nitrophenyl)-1,3-oxazolidine-4-carboxamide

C11H13N3O4 — CID 90476331

IUPAC(4S,5R)-5-methyl-N-(4-nitrophenyl)-1,3-oxazolidine-4-carboxamide
SMILESC[C@H]1OCN[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H13N3O4/c1-7-10(12-6-18-7)11(15)13-8-2-4-9(5-3-8)14(16)17/h2-5,7,10,12H,6H2,1H3,(H,13,15)/t7-,10+/m1/s1
InChIKeyMTCOEAKRYPFRCQ-XCBNKYQSSA-N
MW251.24 g/mol
LogP0.87
Rot. Bonds3

About (4S,5R)-5-methyl-N-(4-nitrophenyl)-1,3-oxazolidine-4-carboxamide

(4S,5R)-5-methyl-N-(4-nitrophenyl)-1,3-oxazolidine-4-carboxamide (PubChem CID 90476331) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is (4S,5R)-5-methyl-N-(4-nitrophenyl)-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S,5R)-5-methyl-N-(4-nitrophenyl)-1,3-oxazolidine-4-carboxamide
PubChem CID90476331
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name(4S,5R)-5-methyl-N-(4-nitrophenyl)-1,3-oxazolidine-4-carboxamide
SMILESC[C@H]1OCN[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H13N3O4/c1-7-10(12-6-18-7)11(15)13-8-2-4-9(5-3-8)14(16)17/h2-5,7,10,12H,6H2,1H3,(H,13,15)/t7-,10+/m1/s1
InChIKeyMTCOEAKRYPFRCQ-XCBNKYQSSA-N
XLogP0.87
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(5R)-5-methyl-N-(4-nitrophenyl)pyrrolidine-3-carboxamide
CID 143474550
(2R,3S)-2-methyl-N-(3-nitrophenyl)morpholine-3-carboxamide
CID 120917022
4-methyl-N-(4-nitrophenyl)piperidine-2-carboxamide
CID 114422736
(2R,4R)-4-hydroxy-N-(4-nitrophenyl)pyrrolidine-2-carboxamide
CID 93044428
(2S)-N-(4-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 121235183
1-acetyl-N-(4-nitrophenyl)azetidine-3-carboxamide
CID 90511424
(2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917297
4-amino-N-(4-nitrophenyl)cyclohexane-1-carboxamide
CID 60848648
1-acetyl-N-(4-nitrophenyl)piperidine-4-carboxamide
CID 108792167
(3S)-N-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 164829714
N-(4-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 13416955
(2R,3S)-2-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]morpholine-3-carboxamide
CID 120928111

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-methyl-N-(4-nitrophenyl)-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S,5R)-5-methyl-N-(4-nitrophenyl)-1,3-oxazolidine-4-carboxamide (CID 90476331) is (4S,5R)-5-methyl-N-(4-nitrophenyl)-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S,5R)-5-methyl-N-(4-nitrophenyl)-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S,5R)-5-methyl-N-(4-nitrophenyl)-1,3-oxazolidine-4-carboxamide is C[C@H]1OCN[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4S,5R)-5-methyl-N-(4-nitrophenyl)-1,3-oxazolidine-4-carboxamide?
The InChIKey is MTCOEAKRYPFRCQ-XCBNKYQSSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-7-10(12-6-18-7)11(15)13-8-2-4-9(5-3-8)14(16)17/h2-5,7,10,12H,6H2,1H3,(H,13,15)/t7-,10+/m1/s1.
What are the key properties of (4S,5R)-5-methyl-N-(4-nitrophenyl)-1,3-oxazolidine-4-carboxamide?
(4S,5R)-5-methyl-N-(4-nitrophenyl)-1,3-oxazolidine-4-carboxamide has a molecular weight of 251.24 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-methyl-N-(4-nitrophenyl)-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 90476331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).