2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-fluorobenzaldehyde

C12H11FN2O3 — CID 112611835

IUPAC2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-fluorobenzaldehyde
SMILESCCc1nnc(COc2c(F)cccc2C=O)o1
InChIInChI=1S/C12H11FN2O3/c1-2-10-14-15-11(18-10)7-17-12-8(6-16)4-3-5-9(12)13/h3-6H,2,7H2,1H3
InChIKeyPONDNVPQFLOCPR-UHFFFAOYSA-N
MW250.23 g/mol
LogP2.16
Rot. Bonds5

About 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-fluorobenzaldehyde

2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-fluorobenzaldehyde (PubChem CID 112611835) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-fluorobenzaldehyde.

Molecular Properties

Compound Name2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-fluorobenzaldehyde
PubChem CID112611835
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-fluorobenzaldehyde
SMILESCCc1nnc(COc2c(F)cccc2C=O)o1
InChIInChI=1S/C12H11FN2O3/c1-2-10-14-15-11(18-10)7-17-12-8(6-16)4-3-5-9(12)13/h3-6H,2,7H2,1H3
InChIKeyPONDNVPQFLOCPR-UHFFFAOYSA-N
XLogP2.16
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 52.16
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-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde
CID 112611794
3-ethoxy-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde
CID 43366478
3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde
CID 112611134
3-fluoro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde
CID 112611773
3-fluoro-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 112611761
2-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde
CID 104797513
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde
CID 43417349
3-fluoro-2-(2-hydroxybutoxy)benzaldehyde
CID 112611734
3-fluoro-2-[(3-fluorophenyl)methoxy]benzaldehyde
CID 112611552
2-[(4-bromo-1,3-diethylpyrazol-5-yl)methoxy]-3-fluorobenzaldehyde
CID 115955823
3-fluoro-2-prop-2-enoxybenzaldehyde
CID 112611625
2-[(2,5-difluorophenyl)methoxy]-3-fluorobenzaldehyde
CID 112611763

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-fluorobenzaldehyde?
The IUPAC name of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-fluorobenzaldehyde (CID 112611835) is 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-fluorobenzaldehyde.
What is the SMILES notation for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-fluorobenzaldehyde?
The canonical SMILES for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-fluorobenzaldehyde is CCc1nnc(COc2c(F)cccc2C=O)o1.
What is the InChIKey of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-fluorobenzaldehyde?
The InChIKey is PONDNVPQFLOCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-2-10-14-15-11(18-10)7-17-12-8(6-16)4-3-5-9(12)13/h3-6H,2,7H2,1H3.
What are the key properties of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-fluorobenzaldehyde?
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-fluorobenzaldehyde has a molecular weight of 250.23 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-fluorobenzaldehyde is sourced from PubChem (CID 112611835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).