5-chloro-2-[(E)-2-quinoxalin-2-ylethenyl]-1,3-benzoxazole

C17H10ClN3O — CID 9030692

IUPAC5-chloro-2-[(E)-2-quinoxalin-2-ylethenyl]-1,3-benzoxazole
SMILESClc1ccc2oc(/C=C/c3cnc4ccccc4n3)nc2c1
InChIInChI=1S/C17H10ClN3O/c18-11-5-7-16-15(9-11)21-17(22-16)8-6-12-10-19-13-3-1-2-4-14(13)20-12/h1-10H/b8-6+
InChIKeyDIDROMASIZLHSG-SOFGYWHQSA-N
MW307.74 g/mol
LogP4.59
Rot. Bonds2

About 5-chloro-2-[(E)-2-quinoxalin-2-ylethenyl]-1,3-benzoxazole

5-chloro-2-[(E)-2-quinoxalin-2-ylethenyl]-1,3-benzoxazole (PubChem CID 9030692) has the molecular formula C17H10ClN3O and a molecular weight of 307.74 g/mol. Its IUPAC name is 5-chloro-2-[(E)-2-quinoxalin-2-ylethenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-2-[(E)-2-quinoxalin-2-ylethenyl]-1,3-benzoxazole
PubChem CID9030692
Molecular FormulaC17H10ClN3O
Molecular Weight307.74 g/mol
Exact Mass307.05
IUPAC Name5-chloro-2-[(E)-2-quinoxalin-2-ylethenyl]-1,3-benzoxazole
SMILESClc1ccc2oc(/C=C/c3cnc4ccccc4n3)nc2c1
InChIInChI=1S/C17H10ClN3O/c18-11-5-7-16-15(9-11)21-17(22-16)8-6-12-10-19-13-3-1-2-4-14(13)20-12/h1-10H/b8-6+
InChIKeyDIDROMASIZLHSG-SOFGYWHQSA-N
XLogP4.59
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2,4-dichlorophenyl)ethenyl]-1,3-benzoxazole
CID 3767247
5-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazole
CID 6214674
5-chloro-2-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1,3-benzoxazole
CID 25474793
5-chloro-2-[(E)-2-(3-ethoxyphenyl)ethenyl]-1,3-benzoxazole
CID 52643423
5-chloro-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-1,3-benzoxazole
CID 4884473
(Z)-1-(5-chloro-1,3-benzoxazol-2-yl)prop-1-en-2-ol
CID 135996985
1-(5-chloro-1,3-benzoxazol-2-yl)prop-1-en-2-ol
CID 136755171
N-[4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 17436676
1-(4-chlorophenyl)-3-quinoxalin-2-ylprop-2-en-1-one
CID 84906464
2-chloro-4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-6-ethoxyphenol
CID 135556574
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-[5-(3-chlorophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole
CID 6218469

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(E)-2-quinoxalin-2-ylethenyl]-1,3-benzoxazole?
The IUPAC name of 5-chloro-2-[(E)-2-quinoxalin-2-ylethenyl]-1,3-benzoxazole (CID 9030692) is 5-chloro-2-[(E)-2-quinoxalin-2-ylethenyl]-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-2-[(E)-2-quinoxalin-2-ylethenyl]-1,3-benzoxazole?
The canonical SMILES for 5-chloro-2-[(E)-2-quinoxalin-2-ylethenyl]-1,3-benzoxazole is Clc1ccc2oc(/C=C/c3cnc4ccccc4n3)nc2c1.
What is the InChIKey of 5-chloro-2-[(E)-2-quinoxalin-2-ylethenyl]-1,3-benzoxazole?
The InChIKey is DIDROMASIZLHSG-SOFGYWHQSA-N. The full InChI is InChI=1S/C17H10ClN3O/c18-11-5-7-16-15(9-11)21-17(22-16)8-6-12-10-19-13-3-1-2-4-14(13)20-12/h1-10H/b8-6+.
What are the key properties of 5-chloro-2-[(E)-2-quinoxalin-2-ylethenyl]-1,3-benzoxazole?
5-chloro-2-[(E)-2-quinoxalin-2-ylethenyl]-1,3-benzoxazole has a molecular weight of 307.74 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(E)-2-quinoxalin-2-ylethenyl]-1,3-benzoxazole is sourced from PubChem (CID 9030692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).