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

C13H9NO4 — CID 169332554

IUPAC5-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)furan-2-carbaldehyde
SMILESCn1c(=O)oc2ccc(-c3ccc(C=O)o3)cc21
InChIInChI=1S/C13H9NO4/c1-14-10-6-8(2-4-12(10)18-13(14)16)11-5-3-9(7-15)17-11/h2-7H,1H3
InChIKeyKBWOLOMYSRQAQW-UHFFFAOYSA-N
MW243.22 g/mol
LogP2.20
Rot. Bonds2

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

5-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)furan-2-carbaldehyde (PubChem CID 169332554) has the molecular formula C13H9NO4 and a molecular weight of 243.22 g/mol. Its IUPAC name is 5-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)furan-2-carbaldehyde
PubChem CID169332554
Molecular FormulaC13H9NO4
Molecular Weight243.22 g/mol
Exact Mass243.05
IUPAC Name5-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)furan-2-carbaldehyde
SMILESCn1c(=O)oc2ccc(-c3ccc(C=O)o3)cc21
InChIInChI=1S/C13H9NO4/c1-14-10-6-8(2-4-12(10)18-13(14)16)11-5-3-9(7-15)17-11/h2-7H,1H3
InChIKeyKBWOLOMYSRQAQW-UHFFFAOYSA-N
XLogP2.20
TPSA65.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 52.20
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

3-methyl-5-(4-methylphenyl)-1,3-benzoxazol-2-one
CID 134527822
5-(1,2-dimethylbenzimidazol-5-yl)furan-2-carbaldehyde
CID 169334354
5-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)furan-2-carbaldehyde
CID 675050
3,5-dimethyl-1,3-benzoxazol-2-one
CID 13117589
5-(3-iodo-4-methylphenyl)furan-2-carbaldehyde
CID 130498195
5-(1,2-benzoxazol-6-yl)furan-2-carbaldehyde
CID 169335702
3,5-dimethyl-1,3-benzoxazol-2-one;methane
CID 160664134
3-methyl-5-(2-oxo-1,3-dihydroimidazol-4-yl)-1,3-benzoxazol-2-one
CID 116879745
5-(4-formylphenyl)furan-2-carbaldehyde
CID 7183276
5-(4-tert-butylphenyl)furan-2-carbaldehyde
CID 22566716
5-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)furan-2-carbaldehyde
CID 169335246
5-(6,7,8,9-tetrahydrodibenzofuran-2-yl)furan-2-carbaldehyde
CID 169332932

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)furan-2-carbaldehyde?
The IUPAC name of 5-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)furan-2-carbaldehyde (CID 169332554) is 5-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)furan-2-carbaldehyde?
The canonical SMILES for 5-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)furan-2-carbaldehyde is Cn1c(=O)oc2ccc(-c3ccc(C=O)o3)cc21.
What is the InChIKey of 5-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)furan-2-carbaldehyde?
The InChIKey is KBWOLOMYSRQAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO4/c1-14-10-6-8(2-4-12(10)18-13(14)16)11-5-3-9(7-15)17-11/h2-7H,1H3.
What are the key properties of 5-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)furan-2-carbaldehyde?
5-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)furan-2-carbaldehyde has a molecular weight of 243.22 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)furan-2-carbaldehyde is sourced from PubChem (CID 169332554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).