5-[(2-oxo-1,3-benzoxazol-3-yl)methyl]furan-2-carbaldehyde

C13H9NO4 — CID 113372347

IUPAC5-[(2-oxo-1,3-benzoxazol-3-yl)methyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(Cn2c(=O)oc3ccccc32)o1
InChIInChI=1S/C13H9NO4/c15-8-10-6-5-9(17-10)7-14-11-3-1-2-4-12(11)18-13(14)16/h1-6,8H,7H2
InChIKeyDADBEIRVTUDRAC-UHFFFAOYSA-N
MW243.22 g/mol
LogP2.05
Rot. Bonds3

About 5-[(2-oxo-1,3-benzoxazol-3-yl)methyl]furan-2-carbaldehyde

5-[(2-oxo-1,3-benzoxazol-3-yl)methyl]furan-2-carbaldehyde (PubChem CID 113372347) has the molecular formula C13H9NO4 and a molecular weight of 243.22 g/mol. Its IUPAC name is 5-[(2-oxo-1,3-benzoxazol-3-yl)methyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[(2-oxo-1,3-benzoxazol-3-yl)methyl]furan-2-carbaldehyde
PubChem CID113372347
Molecular FormulaC13H9NO4
Molecular Weight243.22 g/mol
Exact Mass243.05
IUPAC Name5-[(2-oxo-1,3-benzoxazol-3-yl)methyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(Cn2c(=O)oc3ccccc32)o1
InChIInChI=1S/C13H9NO4/c15-8-10-6-5-9(17-10)7-14-11-3-1-2-4-12(11)18-13(14)16/h1-6,8H,7H2
InChIKeyDADBEIRVTUDRAC-UHFFFAOYSA-N
XLogP2.05
TPSA65.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]benzaldehyde
CID 62019739
3-[(2-chloro-3-pyridinyl)methyl]-1,3-benzoxazol-2-one
CID 62470052
3-[(2-amino-5-nitrophenyl)methyl]-1,3-benzoxazol-2-one
CID 62208000
3-[(2-amino-4-chlorophenyl)methyl]-1,3-benzoxazol-2-one
CID 62100918
3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-one
CID 2744505
(2-oxo-1,3-benzoxazol-3-yl)methanesulfonamide
CID 69238074
3-[(6-chloropyridazin-3-yl)methyl]-1,3-benzoxazol-2-one
CID 104513870
3-(2-oxo-1,3-benzoxazol-3-yl)propanenitrile
CID 2799290
3-[(2-bromo-5-methoxyphenyl)methyl]-1,3-benzoxazol-2-one
CID 65325780
2-[(2-oxo-1,3-benzoxazol-3-yl)methyl]furan-3-carboxylic acid
CID 43477614
2-(2-oxo-1,3-benzoxazol-3-yl)ethyl acetate
CID 142790595
3-(5-bromopentyl)-1,3-benzoxazol-2-one
CID 24806895

Frequently Asked Questions

What is the IUPAC name of 5-[(2-oxo-1,3-benzoxazol-3-yl)methyl]furan-2-carbaldehyde?
The IUPAC name of 5-[(2-oxo-1,3-benzoxazol-3-yl)methyl]furan-2-carbaldehyde (CID 113372347) is 5-[(2-oxo-1,3-benzoxazol-3-yl)methyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[(2-oxo-1,3-benzoxazol-3-yl)methyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[(2-oxo-1,3-benzoxazol-3-yl)methyl]furan-2-carbaldehyde is O=Cc1ccc(Cn2c(=O)oc3ccccc32)o1.
What is the InChIKey of 5-[(2-oxo-1,3-benzoxazol-3-yl)methyl]furan-2-carbaldehyde?
The InChIKey is DADBEIRVTUDRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO4/c15-8-10-6-5-9(17-10)7-14-11-3-1-2-4-12(11)18-13(14)16/h1-6,8H,7H2.
What are the key properties of 5-[(2-oxo-1,3-benzoxazol-3-yl)methyl]furan-2-carbaldehyde?
5-[(2-oxo-1,3-benzoxazol-3-yl)methyl]furan-2-carbaldehyde has a molecular weight of 243.22 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-oxo-1,3-benzoxazol-3-yl)methyl]furan-2-carbaldehyde is sourced from PubChem (CID 113372347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).