2-[(E)-2-[5-(3-chlorophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole

C19H12ClNO2 — CID 6218469

IUPAC2-[(E)-2-[5-(3-chlorophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole
SMILESClc1cccc(-c2ccc(/C=C/c3nc4ccccc4o3)o2)c1
InChIInChI=1S/C19H12ClNO2/c20-14-5-3-4-13(12-14)17-10-8-15(22-17)9-11-19-21-16-6-1-2-7-18(16)23-19/h1-12H/b11-9+
InChIKeyMTDUBJPUWNGERH-PKNBQFBNSA-N
MW321.76 g/mol
LogP5.91
Rot. Bonds3

About 2-[(E)-2-[5-(3-chlorophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole

2-[(E)-2-[5-(3-chlorophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole (PubChem CID 6218469) has the molecular formula C19H12ClNO2 and a molecular weight of 321.76 g/mol. Its IUPAC name is 2-[(E)-2-[5-(3-chlorophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(E)-2-[5-(3-chlorophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole
PubChem CID6218469
Molecular FormulaC19H12ClNO2
Molecular Weight321.76 g/mol
Exact Mass321.06
IUPAC Name2-[(E)-2-[5-(3-chlorophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole
SMILESClc1cccc(-c2ccc(/C=C/c3nc4ccccc4o3)o2)c1
InChIInChI=1S/C19H12ClNO2/c20-14-5-3-4-13(12-14)17-10-8-15(22-17)9-11-19-21-16-6-1-2-7-18(16)23-19/h1-12H/b11-9+
InChIKeyMTDUBJPUWNGERH-PKNBQFBNSA-N
XLogP5.91
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.76
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(Z)-2-[5-(3-nitrophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole
CID 92912198
2-[2-(2,4-dichlorophenyl)ethenyl]-1,3-benzoxazole
CID 3767247
(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoic acid
CID 8705472
2-[3-(3-chlorophenyl)phenyl]-1,3-benzoxazole
CID 166583056
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-nitrofuran-2-yl)ethenyl]-1,3-benzoxazole
CID 14738165
methyl 3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoate
CID 69037771
2-phenyl-5-[(Z)-2-(5-phenylfuran-2-yl)ethenyl]furan
CID 11381399
3-[5-(3-chlorophenyl)furan-2-yl]-2-(4-oxo-3H-quinazolin-2-yl)prop-2-enenitrile
CID 135399275
N-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 1348589
(4Z)-4-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 19663628
(E)-3-[5-(3-chlorophenyl)furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one
CID 5344040

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[5-(3-chlorophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole?
The IUPAC name of 2-[(E)-2-[5-(3-chlorophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole (CID 6218469) is 2-[(E)-2-[5-(3-chlorophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(E)-2-[5-(3-chlorophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[(E)-2-[5-(3-chlorophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole is Clc1cccc(-c2ccc(/C=C/c3nc4ccccc4o3)o2)c1.
What is the InChIKey of 2-[(E)-2-[5-(3-chlorophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole?
The InChIKey is MTDUBJPUWNGERH-PKNBQFBNSA-N. The full InChI is InChI=1S/C19H12ClNO2/c20-14-5-3-4-13(12-14)17-10-8-15(22-17)9-11-19-21-16-6-1-2-7-18(16)23-19/h1-12H/b11-9+.
What are the key properties of 2-[(E)-2-[5-(3-chlorophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole?
2-[(E)-2-[5-(3-chlorophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole has a molecular weight of 321.76 g/mol, XLogP of 5.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[5-(3-chlorophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole is sourced from PubChem (CID 6218469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).