(5R)-5-ethenyl-3-(3-nitrophenyl)-4H-1,2-oxazol-5-ol

C11H10N2O4 — CID 122208756

IUPAC(5R)-5-ethenyl-3-(3-nitrophenyl)-4H-1,2-oxazol-5-ol
SMILESC=C[C@@]1(O)CC(c2cccc([N+](=O)[O-])c2)=NO1
InChIInChI=1S/C11H10N2O4/c1-2-11(14)7-10(12-17-11)8-4-3-5-9(6-8)13(15)16/h2-6,14H,1,7H2/t11-/m0/s1
InChIKeyGXQXMMPFYVAOEX-NSHDSACASA-N
MW234.21 g/mol
LogP1.59
Rot. Bonds3

About (5R)-5-ethenyl-3-(3-nitrophenyl)-4H-1,2-oxazol-5-ol

(5R)-5-ethenyl-3-(3-nitrophenyl)-4H-1,2-oxazol-5-ol (PubChem CID 122208756) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is (5R)-5-ethenyl-3-(3-nitrophenyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name(5R)-5-ethenyl-3-(3-nitrophenyl)-4H-1,2-oxazol-5-ol
PubChem CID122208756
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name(5R)-5-ethenyl-3-(3-nitrophenyl)-4H-1,2-oxazol-5-ol
SMILESC=C[C@@]1(O)CC(c2cccc([N+](=O)[O-])c2)=NO1
InChIInChI=1S/C11H10N2O4/c1-2-11(14)7-10(12-17-11)8-4-3-5-9(6-8)13(15)16/h2-6,14H,1,7H2/t11-/m0/s1
InChIKeyGXQXMMPFYVAOEX-NSHDSACASA-N
XLogP1.59
TPSA84.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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-3-(3-nitrophenyl)-4H-1,2-oxazole-5-carboxylic acid
CID 95658887
formic acid;1-nitro-3-phenylbenzene
CID 158057338
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
[3-(3-nitrophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 11390420
2-(3-chlorophenyl)-5-[5-methyl-3-(3-nitrophenyl)-4H-1,2-oxazol-5-yl]-1,3,4-oxadiazole
CID 24789316
nitric acid;4-(3-nitrophenyl)pyridine
CID 71334650
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
(5R)-7-(3,4-dimethylphenyl)-3-(3-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 7633164
(5S)-7-(4-methoxyphenyl)-3-(3-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 7631276
N-cyclopropyl-4-methyl-5-[5-methyl-3-(3-nitrophenyl)-4H-1,2-oxazol-5-yl]-1,3-thiazole-2-carboxamide
CID 16746099
1-[4-(3-nitrophenyl)phenyl]cyclopropane-1-carboxylic acid
CID 82039214
4-[3-(3-nitrophenyl)-4,5-dihydro-1,2-oxazol-5-yl]butanal
CID 18753375

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethenyl-3-(3-nitrophenyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of (5R)-5-ethenyl-3-(3-nitrophenyl)-4H-1,2-oxazol-5-ol (CID 122208756) is (5R)-5-ethenyl-3-(3-nitrophenyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for (5R)-5-ethenyl-3-(3-nitrophenyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for (5R)-5-ethenyl-3-(3-nitrophenyl)-4H-1,2-oxazol-5-ol is C=C[C@@]1(O)CC(c2cccc([N+](=O)[O-])c2)=NO1.
What is the InChIKey of (5R)-5-ethenyl-3-(3-nitrophenyl)-4H-1,2-oxazol-5-ol?
The InChIKey is GXQXMMPFYVAOEX-NSHDSACASA-N. The full InChI is InChI=1S/C11H10N2O4/c1-2-11(14)7-10(12-17-11)8-4-3-5-9(6-8)13(15)16/h2-6,14H,1,7H2/t11-/m0/s1.
What are the key properties of (5R)-5-ethenyl-3-(3-nitrophenyl)-4H-1,2-oxazol-5-ol?
(5R)-5-ethenyl-3-(3-nitrophenyl)-4H-1,2-oxazol-5-ol has a molecular weight of 234.21 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethenyl-3-(3-nitrophenyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 122208756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).