5-[2-(2-chlorophenyl)-1,3-benzoxazol-6-yl]furan-2-carbaldehyde

C18H10ClNO3 — CID 169333831

IUPAC5-[2-(2-chlorophenyl)-1,3-benzoxazol-6-yl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc3nc(-c4ccccc4Cl)oc3c2)o1
InChIInChI=1S/C18H10ClNO3/c19-14-4-2-1-3-13(14)18-20-15-7-5-11(9-17(15)23-18)16-8-6-12(10-21)22-16/h1-10H
InChIKeyZDDRZUFZUJGHQK-UHFFFAOYSA-N
MW323.74 g/mol
LogP5.22
Rot. Bonds3

About 5-[2-(2-chlorophenyl)-1,3-benzoxazol-6-yl]furan-2-carbaldehyde

5-[2-(2-chlorophenyl)-1,3-benzoxazol-6-yl]furan-2-carbaldehyde (PubChem CID 169333831) has the molecular formula C18H10ClNO3 and a molecular weight of 323.74 g/mol. Its IUPAC name is 5-[2-(2-chlorophenyl)-1,3-benzoxazol-6-yl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-(2-chlorophenyl)-1,3-benzoxazol-6-yl]furan-2-carbaldehyde
PubChem CID169333831
Molecular FormulaC18H10ClNO3
Molecular Weight323.74 g/mol
Exact Mass323.03
IUPAC Name5-[2-(2-chlorophenyl)-1,3-benzoxazol-6-yl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc3nc(-c4ccccc4Cl)oc3c2)o1
InChIInChI=1S/C18H10ClNO3/c19-14-4-2-1-3-13(14)18-20-15-7-5-11(9-17(15)23-18)16-8-6-12(10-21)22-16/h1-10H
InChIKeyZDDRZUFZUJGHQK-UHFFFAOYSA-N
XLogP5.22
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.74
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carbaldehyde
CID 169334915
2-(2-chlorophenyl)-1,3-benzoxazole
CID 3014177
5-acridin-2-ylfuran-2-carbaldehyde
CID 169333174
(E)-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 17117175
3-(1,3-benzoxazol-2-yl)-4-(5-formylfuran-2-yl)benzenesulfonic acid
CID 169335630
5-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]furan-2-carbaldehyde
CID 169334400
(E)-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-[[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]prop-2-enamide
CID 21169500
5-[2-(3,4-difluorophenyl)phenyl]furan-2-carbaldehyde
CID 169333066
4-[2-(1,3-benzoxazol-2-yl)phenyl]benzaldehyde
CID 90680934
5-(1,2-benzoxazol-6-yl)furan-2-carbaldehyde
CID 169335702
5-[2-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]furan-2-carbaldehyde
CID 169334656
[2-(2-chlorophenyl)-1,3-benzoxazol-6-yl]thiourea
CID 169357876

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chlorophenyl)-1,3-benzoxazol-6-yl]furan-2-carbaldehyde?
The IUPAC name of 5-[2-(2-chlorophenyl)-1,3-benzoxazol-6-yl]furan-2-carbaldehyde (CID 169333831) is 5-[2-(2-chlorophenyl)-1,3-benzoxazol-6-yl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[2-(2-chlorophenyl)-1,3-benzoxazol-6-yl]furan-2-carbaldehyde?
The canonical SMILES for 5-[2-(2-chlorophenyl)-1,3-benzoxazol-6-yl]furan-2-carbaldehyde is O=Cc1ccc(-c2ccc3nc(-c4ccccc4Cl)oc3c2)o1.
What is the InChIKey of 5-[2-(2-chlorophenyl)-1,3-benzoxazol-6-yl]furan-2-carbaldehyde?
The InChIKey is ZDDRZUFZUJGHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClNO3/c19-14-4-2-1-3-13(14)18-20-15-7-5-11(9-17(15)23-18)16-8-6-12(10-21)22-16/h1-10H.
What are the key properties of 5-[2-(2-chlorophenyl)-1,3-benzoxazol-6-yl]furan-2-carbaldehyde?
5-[2-(2-chlorophenyl)-1,3-benzoxazol-6-yl]furan-2-carbaldehyde has a molecular weight of 323.74 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chlorophenyl)-1,3-benzoxazol-6-yl]furan-2-carbaldehyde is sourced from PubChem (CID 169333831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).