2-[2-(furan-2-ylmethyl)-1,3-oxazol-5-yl]acetaldehyde

C10H9NO3 — CID 115087564

IUPAC2-[2-(furan-2-ylmethyl)-1,3-oxazol-5-yl]acetaldehyde
SMILESO=CCc1cnc(Cc2ccco2)o1
InChIInChI=1S/C10H9NO3/c12-4-3-9-7-11-10(14-9)6-8-2-1-5-13-8/h1-2,4-5,7H,3,6H2
InChIKeyHCXDEUCMLZKJAO-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.60
Rot. Bonds4

About 2-[2-(furan-2-ylmethyl)-1,3-oxazol-5-yl]acetaldehyde

2-[2-(furan-2-ylmethyl)-1,3-oxazol-5-yl]acetaldehyde (PubChem CID 115087564) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-[2-(furan-2-ylmethyl)-1,3-oxazol-5-yl]acetaldehyde.

Molecular Properties

Compound Name2-[2-(furan-2-ylmethyl)-1,3-oxazol-5-yl]acetaldehyde
PubChem CID115087564
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name2-[2-(furan-2-ylmethyl)-1,3-oxazol-5-yl]acetaldehyde
SMILESO=CCc1cnc(Cc2ccco2)o1
InChIInChI=1S/C10H9NO3/c12-4-3-9-7-11-10(14-9)6-8-2-1-5-13-8/h1-2,4-5,7H,3,6H2
InChIKeyHCXDEUCMLZKJAO-UHFFFAOYSA-N
XLogP1.60
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.60
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

2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]acetaldehyde
CID 115086804
2-(furan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid
CID 82402388
(Z)-5-(furan-2-yl)pent-3-enal
CID 117268161
5-(furan-2-ylmethyl)oxadiazole
CID 174840733
2-[[bis(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-5-carboxylic acid
CID 123545327
3-(furan-2-yl)prop-1-en-1-one
CID 22058153
2-bromo-5-(furan-2-ylmethyl)-1,3-thiazole
CID 117259797
4-(furan-2-yl)butanal
CID 14455558
5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 115004217
2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]acetaldehyde
CID 115086163
5-bromo-2-(furan-2-ylmethyl)-1,3-thiazole
CID 117259115
5-(furan-2-ylmethyl)-2,3-dimethylpyrazine
CID 12558437

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-ylmethyl)-1,3-oxazol-5-yl]acetaldehyde?
The IUPAC name of 2-[2-(furan-2-ylmethyl)-1,3-oxazol-5-yl]acetaldehyde (CID 115087564) is 2-[2-(furan-2-ylmethyl)-1,3-oxazol-5-yl]acetaldehyde.
What is the SMILES notation for 2-[2-(furan-2-ylmethyl)-1,3-oxazol-5-yl]acetaldehyde?
The canonical SMILES for 2-[2-(furan-2-ylmethyl)-1,3-oxazol-5-yl]acetaldehyde is O=CCc1cnc(Cc2ccco2)o1.
What is the InChIKey of 2-[2-(furan-2-ylmethyl)-1,3-oxazol-5-yl]acetaldehyde?
The InChIKey is HCXDEUCMLZKJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c12-4-3-9-7-11-10(14-9)6-8-2-1-5-13-8/h1-2,4-5,7H,3,6H2.
What are the key properties of 2-[2-(furan-2-ylmethyl)-1,3-oxazol-5-yl]acetaldehyde?
2-[2-(furan-2-ylmethyl)-1,3-oxazol-5-yl]acetaldehyde has a molecular weight of 191.19 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-ylmethyl)-1,3-oxazol-5-yl]acetaldehyde is sourced from PubChem (CID 115087564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).