2-[2-(2-nitrophenyl)ethenyl]-1,3-oxazole

C11H8N2O3 — CID 175956037

IUPAC2-[2-(2-nitrophenyl)ethenyl]-1,3-oxazole
SMILESO=[N+]([O-])c1ccccc1C=Cc1ncco1
InChIInChI=1S/C11H8N2O3/c14-13(15)10-4-2-1-3-9(10)5-6-11-12-7-8-16-11/h1-8H
InChIKeyLCTKKMLYQAYXOL-UHFFFAOYSA-N
MW216.20 g/mol
LogP2.75
Rot. Bonds3

About 2-[2-(2-nitrophenyl)ethenyl]-1,3-oxazole

2-[2-(2-nitrophenyl)ethenyl]-1,3-oxazole (PubChem CID 175956037) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is 2-[2-(2-nitrophenyl)ethenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(2-nitrophenyl)ethenyl]-1,3-oxazole
PubChem CID175956037
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name2-[2-(2-nitrophenyl)ethenyl]-1,3-oxazole
SMILESO=[N+]([O-])c1ccccc1C=Cc1ncco1
InChIInChI=1S/C11H8N2O3/c14-13(15)10-4-2-1-3-9(10)5-6-11-12-7-8-16-11/h1-8H
InChIKeyLCTKKMLYQAYXOL-UHFFFAOYSA-N
XLogP2.75
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 52.75
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

1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene
CID 95239992
ethane;2-(2-nitrophenyl)-1,3-oxazole
CID 91192753
2-[(E)-2-(2-nitrophenyl)ethenyl]aniline
CID 11053766
2-[2-(2-nitrophenyl)ethenyl]aniline
CID 53440979
(Z)-3-(2-nitrophenyl)-1-pyridin-2-ylprop-2-en-1-one
CID 99927331
(5E)-1,6-bis(2-nitrophenyl)hexa-1,5-diene-3,4-dione
CID 5382706
1,5-bis(2-nitrophenyl)penta-1,4-dien-3-one
CID 91254443
4-[(E)-2-(2-nitrophenyl)ethenyl]benzonitrile
CID 155931404
2-[(E)-2-(2-nitrophenyl)ethenyl]-5-phenyl-1,3-benzoxazole
CID 16554443
3-(2-nitrophenyl)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]prop-2-en-1-imine
CID 4665830
1-[(E)-but-1-enyl]-2-nitrobenzene
CID 15667952
1-(3-iodoprop-1-enyl)-2-nitrobenzene
CID 71425895

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-nitrophenyl)ethenyl]-1,3-oxazole?
The IUPAC name of 2-[2-(2-nitrophenyl)ethenyl]-1,3-oxazole (CID 175956037) is 2-[2-(2-nitrophenyl)ethenyl]-1,3-oxazole.
What is the SMILES notation for 2-[2-(2-nitrophenyl)ethenyl]-1,3-oxazole?
The canonical SMILES for 2-[2-(2-nitrophenyl)ethenyl]-1,3-oxazole is O=[N+]([O-])c1ccccc1C=Cc1ncco1.
What is the InChIKey of 2-[2-(2-nitrophenyl)ethenyl]-1,3-oxazole?
The InChIKey is LCTKKMLYQAYXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c14-13(15)10-4-2-1-3-9(10)5-6-11-12-7-8-16-11/h1-8H.
What are the key properties of 2-[2-(2-nitrophenyl)ethenyl]-1,3-oxazole?
2-[2-(2-nitrophenyl)ethenyl]-1,3-oxazole has a molecular weight of 216.20 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-nitrophenyl)ethenyl]-1,3-oxazole is sourced from PubChem (CID 175956037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).