2-[(E)-2-(4-nitrophenyl)ethenyl]-1,3-benzoxazole

C15H10N2O3 — CID 5377707

IUPAC2-[(E)-2-(4-nitrophenyl)ethenyl]-1,3-benzoxazole
SMILESO=[N+]([O-])c1ccc(/C=C/c2nc3ccccc3o2)cc1
InChIInChI=1S/C15H10N2O3/c18-17(19)12-8-5-11(6-9-12)7-10-15-16-13-3-1-2-4-14(13)20-15/h1-10H/b10-7+
InChIKeyWEUTXRYVWAJZJV-JXMROGBWSA-N
MW266.26 g/mol
LogP3.91
Rot. Bonds3

About 2-[(E)-2-(4-nitrophenyl)ethenyl]-1,3-benzoxazole

2-[(E)-2-(4-nitrophenyl)ethenyl]-1,3-benzoxazole (PubChem CID 5377707) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-[(E)-2-(4-nitrophenyl)ethenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(E)-2-(4-nitrophenyl)ethenyl]-1,3-benzoxazole
PubChem CID5377707
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name2-[(E)-2-(4-nitrophenyl)ethenyl]-1,3-benzoxazole
SMILESO=[N+]([O-])c1ccc(/C=C/c2nc3ccccc3o2)cc1
InChIInChI=1S/C15H10N2O3/c18-17(19)12-8-5-11(6-9-12)7-10-15-16-13-3-1-2-4-14(13)20-15/h1-10H/b10-7+
InChIKeyWEUTXRYVWAJZJV-JXMROGBWSA-N
XLogP3.91
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 53.91
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

4-[2-(1,3-benzoxazol-2-yl)ethenyl]aniline
CID 3147188
2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-benzoxazole
CID 6215281
2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-benzoxazole
CID 14738165
2-[(Z)-2-[5-(3-nitrophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole
CID 92912198
4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline
CID 20692325
2-[(E)-2-(3-fluorophenyl)ethenyl]-5-nitro-1,3-benzoxazole
CID 8832228
methyl 4-[(E)-2-(5-nitro-1,3-benzoxazol-2-yl)ethenyl]benzoate
CID 8832258
2,6-dimethyl-4-[(E)-2-(5-nitro-1,3-benzoxazol-2-yl)ethenyl]phenol
CID 135689520
2-[2-[3,5,6-tris[2-(1,3-benzoxazol-2-yl)ethenyl]pyrazin-2-yl]ethenyl]-1,3-benzoxazole
CID 57286159
2-[(E)-2-naphthalen-1-ylethenyl]-5-nitro-1,3-benzoxazole
CID 8832196
3-(4-nitrophenyl)-1,4-benzoxazin-2-one
CID 139215522
(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(4-nitrophenyl)prop-2-enoic acid
CID 8705629

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-nitrophenyl)ethenyl]-1,3-benzoxazole?
The IUPAC name of 2-[(E)-2-(4-nitrophenyl)ethenyl]-1,3-benzoxazole (CID 5377707) is 2-[(E)-2-(4-nitrophenyl)ethenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(E)-2-(4-nitrophenyl)ethenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[(E)-2-(4-nitrophenyl)ethenyl]-1,3-benzoxazole is O=[N+]([O-])c1ccc(/C=C/c2nc3ccccc3o2)cc1.
What is the InChIKey of 2-[(E)-2-(4-nitrophenyl)ethenyl]-1,3-benzoxazole?
The InChIKey is WEUTXRYVWAJZJV-JXMROGBWSA-N. The full InChI is InChI=1S/C15H10N2O3/c18-17(19)12-8-5-11(6-9-12)7-10-15-16-13-3-1-2-4-14(13)20-15/h1-10H/b10-7+.
What are the key properties of 2-[(E)-2-(4-nitrophenyl)ethenyl]-1,3-benzoxazole?
2-[(E)-2-(4-nitrophenyl)ethenyl]-1,3-benzoxazole has a molecular weight of 266.26 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-nitrophenyl)ethenyl]-1,3-benzoxazole is sourced from PubChem (CID 5377707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).