2-(3,4-dichlorophenyl)-5-(furan-2-yl)-1,3-benzoxazole

C17H9Cl2NO2 — CID 168527045

IUPAC2-(3,4-dichlorophenyl)-5-(furan-2-yl)-1,3-benzoxazole
SMILESClc1ccc(-c2nc3cc(-c4ccco4)ccc3o2)cc1Cl
InChIInChI=1S/C17H9Cl2NO2/c18-12-5-3-11(8-13(12)19)17-20-14-9-10(4-6-16(14)22-17)15-2-1-7-21-15/h1-9H
InChIKeyLHMJGFYZMNCTSB-UHFFFAOYSA-N
MW330.17 g/mol
LogP6.06
Rot. Bonds2

About 2-(3,4-dichlorophenyl)-5-(furan-2-yl)-1,3-benzoxazole

2-(3,4-dichlorophenyl)-5-(furan-2-yl)-1,3-benzoxazole (PubChem CID 168527045) has the molecular formula C17H9Cl2NO2 and a molecular weight of 330.17 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-5-(furan-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-5-(furan-2-yl)-1,3-benzoxazole
PubChem CID168527045
Molecular FormulaC17H9Cl2NO2
Molecular Weight330.17 g/mol
Exact Mass329.00
IUPAC Name2-(3,4-dichlorophenyl)-5-(furan-2-yl)-1,3-benzoxazole
SMILESClc1ccc(-c2nc3cc(-c4ccco4)ccc3o2)cc1Cl
InChIInChI=1S/C17H9Cl2NO2/c18-12-5-3-11(8-13(12)19)17-20-14-9-10(4-6-16(14)22-17)15-2-1-7-21-15/h1-9H
InChIKeyLHMJGFYZMNCTSB-UHFFFAOYSA-N
XLogP6.06
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.17
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 3442914
[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanol
CID 82357851
2-(3,4-dichlorophenyl)-5-(1,2,4-triazol-4-yl)-1,3-benzoxazole
CID 50881757
2-butyl-5-(furan-2-yl)-1,3-benzoxazole
CID 168526990
2-chloro-4-(5-methoxy-1,3-benzoxazol-2-yl)aniline
CID 50874432
2-(3-ethoxyphenyl)-6-(furan-2-yl)-1,3-benzoxazole
CID 23026024
2-chloro-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 91683555
2-(3,5-dichlorophenyl)-5-phenyl-1,3-benzoxazole
CID 91678574
2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 735973
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2,2,2-trifluoroacetamide
CID 17334912
2-(2,5-dichlorophenyl)-5-phenyl-1,3-benzoxazole
CID 95911059
N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]furan-2-carboxamide
CID 4680638

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-5-(furan-2-yl)-1,3-benzoxazole?
The IUPAC name of 2-(3,4-dichlorophenyl)-5-(furan-2-yl)-1,3-benzoxazole (CID 168527045) is 2-(3,4-dichlorophenyl)-5-(furan-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-5-(furan-2-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(3,4-dichlorophenyl)-5-(furan-2-yl)-1,3-benzoxazole is Clc1ccc(-c2nc3cc(-c4ccco4)ccc3o2)cc1Cl.
What is the InChIKey of 2-(3,4-dichlorophenyl)-5-(furan-2-yl)-1,3-benzoxazole?
The InChIKey is LHMJGFYZMNCTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2NO2/c18-12-5-3-11(8-13(12)19)17-20-14-9-10(4-6-16(14)22-17)15-2-1-7-21-15/h1-9H.
What are the key properties of 2-(3,4-dichlorophenyl)-5-(furan-2-yl)-1,3-benzoxazole?
2-(3,4-dichlorophenyl)-5-(furan-2-yl)-1,3-benzoxazole has a molecular weight of 330.17 g/mol, XLogP of 6.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-5-(furan-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 168527045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).