3-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde

C11H9FN2O3 — CID 112611794

IUPAC3-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde
SMILESCc1nnc(COc2c(F)cccc2C=O)o1
InChIInChI=1S/C11H9FN2O3/c1-7-13-14-10(17-7)6-16-11-8(5-15)3-2-4-9(11)12/h2-5H,6H2,1H3
InChIKeyZMRVVOZRKSIZOR-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.91
Rot. Bonds4

About 3-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde

3-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde (PubChem CID 112611794) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is 3-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde
PubChem CID112611794
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name3-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde
SMILESCc1nnc(COc2c(F)cccc2C=O)o1
InChIInChI=1S/C11H9FN2O3/c1-7-13-14-10(17-7)6-16-11-8(5-15)3-2-4-9(11)12/h2-5H,6H2,1H3
InChIKeyZMRVVOZRKSIZOR-UHFFFAOYSA-N
XLogP1.91
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 51.91
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

2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-fluorobenzaldehyde
CID 112611835
3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde
CID 112611134
2-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,3,4-oxadiazole
CID 78906446
3-ethoxy-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde
CID 43366478
3-fluoro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde
CID 112611773
2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde
CID 54919221
3-fluoro-2-[(3-fluorophenyl)methoxy]benzaldehyde
CID 112611552
3-fluoro-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 112611761
3-fluoro-2-prop-2-enoxybenzaldehyde
CID 112611625
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde
CID 43388676
2-[(2,5-difluorophenyl)methoxy]-3-fluorobenzaldehyde
CID 112611763
2-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde
CID 104797513

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde?
The IUPAC name of 3-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde (CID 112611794) is 3-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde.
What is the SMILES notation for 3-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde?
The canonical SMILES for 3-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde is Cc1nnc(COc2c(F)cccc2C=O)o1.
What is the InChIKey of 3-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde?
The InChIKey is ZMRVVOZRKSIZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c1-7-13-14-10(17-7)6-16-11-8(5-15)3-2-4-9(11)12/h2-5H,6H2,1H3.
What are the key properties of 3-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde?
3-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde has a molecular weight of 236.20 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde is sourced from PubChem (CID 112611794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).