5-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carbaldehyde

C18H11NO4 — CID 169334915

IUPAC5-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(O)c(-c3nc4ccccc4o3)c2)o1
InChIInChI=1S/C18H11NO4/c20-10-12-6-8-16(22-12)11-5-7-15(21)13(9-11)18-19-14-3-1-2-4-17(14)23-18/h1-10,21H
InChIKeyOSXMRPZGVVBWLY-UHFFFAOYSA-N
MW305.29 g/mol
LogP4.27
Rot. Bonds3

About 5-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carbaldehyde

5-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carbaldehyde (PubChem CID 169334915) has the molecular formula C18H11NO4 and a molecular weight of 305.29 g/mol. Its IUPAC name is 5-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carbaldehyde
PubChem CID169334915
Molecular FormulaC18H11NO4
Molecular Weight305.29 g/mol
Exact Mass305.07
IUPAC Name5-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(O)c(-c3nc4ccccc4o3)c2)o1
InChIInChI=1S/C18H11NO4/c20-10-12-6-8-16(22-12)11-5-7-15(21)13(9-11)18-19-14-3-1-2-4-17(14)23-18/h1-10,21H
InChIKeyOSXMRPZGVVBWLY-UHFFFAOYSA-N
XLogP4.27
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(2-chlorophenyl)-1,3-benzoxazol-6-yl]furan-2-carbaldehyde
CID 169333831
2,6-bis(1,3-benzoxazol-2-yl)-4-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797678
3-(1,3-benzoxazol-2-yl)-4-(5-formylfuran-2-yl)benzenesulfonic acid
CID 169335630
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]formamide
CID 136600254
dimethyl 5-[5-[[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]iminomethyl]furan-2-yl]benzene-1,3-dicarboxylate
CID 4252214
bis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium
CID 162253412
bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium
CID 157356181
bis(3-(1,3-benzoxazol-2-yl)naphthalen-2-ol);zinc
CID 153426801
5-acridin-2-ylfuran-2-carbaldehyde
CID 169333174
lithium;2-(1,3-benzoxazol-2-yl)-4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenol;hydride
CID 175568639
5-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]furan-2-carbaldehyde
CID 169334400
4-[2-(1,3-benzoxazol-2-yl)phenyl]benzaldehyde
CID 90680934

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carbaldehyde (CID 169334915) is 5-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carbaldehyde is O=Cc1ccc(-c2ccc(O)c(-c3nc4ccccc4o3)c2)o1.
What is the InChIKey of 5-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carbaldehyde?
The InChIKey is OSXMRPZGVVBWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO4/c20-10-12-6-8-16(22-12)11-5-7-15(21)13(9-11)18-19-14-3-1-2-4-17(14)23-18/h1-10,21H.
What are the key properties of 5-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carbaldehyde?
5-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carbaldehyde has a molecular weight of 305.29 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169334915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).