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

C13H13FN2O3 — CID 112611773

IUPAC3-fluoro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde
SMILESCCCc1nc(COc2c(F)cccc2C=O)no1
InChIInChI=1S/C13H13FN2O3/c1-2-4-12-15-11(16-19-12)8-18-13-9(7-17)5-3-6-10(13)14/h3,5-7H,2,4,8H2,1H3
InChIKeyJEOKRMNHYHHKFN-UHFFFAOYSA-N
MW264.26 g/mol
LogP2.55
Rot. Bonds6

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

3-fluoro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde (PubChem CID 112611773) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is 3-fluoro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-fluoro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde
PubChem CID112611773
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Name3-fluoro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde
SMILESCCCc1nc(COc2c(F)cccc2C=O)no1
InChIInChI=1S/C13H13FN2O3/c1-2-4-12-15-11(16-19-12)8-18-13-9(7-17)5-3-6-10(13)14/h3,5-7H,2,4,8H2,1H3
InChIKeyJEOKRMNHYHHKFN-UHFFFAOYSA-N
XLogP2.55
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.55
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-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 115955982
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-fluorobenzaldehyde
CID 112611835
3-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde
CID 112611794
N-[[3-fluoro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 112609536
3-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]prop-2-enoic acid
CID 76905301
3-[(4-chlorophenoxy)methyl]-5-propyl-1,2,4-oxadiazole
CID 63861167
5-[(2-fluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole
CID 60731170
1-[3-methoxy-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-N-methylmethanamine
CID 61495603
5-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 65453876
3-[(1-bromonaphthalen-2-yl)oxymethyl]-5-propyl-1,2,4-oxadiazole
CID 61495193
4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82915719
2-[5-bromo-3-methyl-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 115962723

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde?
The IUPAC name of 3-fluoro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde (CID 112611773) is 3-fluoro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde.
What is the SMILES notation for 3-fluoro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde?
The canonical SMILES for 3-fluoro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde is CCCc1nc(COc2c(F)cccc2C=O)no1.
What is the InChIKey of 3-fluoro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde?
The InChIKey is JEOKRMNHYHHKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c1-2-4-12-15-11(16-19-12)8-18-13-9(7-17)5-3-6-10(13)14/h3,5-7H,2,4,8H2,1H3.
What are the key properties of 3-fluoro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde?
3-fluoro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde has a molecular weight of 264.26 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde is sourced from PubChem (CID 112611773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).