5-[(2-fluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole

C12H13FN2O2 — CID 60731170

IUPAC5-[(2-fluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(COc2ccccc2F)n1
InChIInChI=1S/C12H13FN2O2/c1-2-5-11-14-12(17-15-11)8-16-10-7-4-3-6-9(10)13/h3-4,6-7H,2,5,8H2,1H3
InChIKeyQDXUCTVKUWZGPI-UHFFFAOYSA-N
MW236.25 g/mol
LogP2.74
Rot. Bonds5

About 5-[(2-fluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole

5-[(2-fluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole (PubChem CID 60731170) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 5-[(2-fluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-fluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole
PubChem CID60731170
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name5-[(2-fluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(COc2ccccc2F)n1
InChIInChI=1S/C12H13FN2O2/c1-2-5-11-14-12(17-15-11)8-16-10-7-4-3-6-9(10)13/h3-4,6-7H,2,5,8H2,1H3
InChIKeyQDXUCTVKUWZGPI-UHFFFAOYSA-N
XLogP2.74
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[(2-fluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2-fluoro-5-methylphenoxy)methyl]-3-propyl-1,2,4-oxadiazole
CID 64854154
N-[[2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 61495262
1-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 120893585
2,6-difluoro-N-[2-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzamide
CID 50765645
5-[(5-bromo-2,3-difluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole
CID 107098700
4-fluoro-N-[2-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzamide
CID 50765653
3-fluoro-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 115955982
(2-fluorophenyl) 4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate
CID 87011668
2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 61495181
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 91650127
5-[(2-bromophenoxy)methyl]-3-ethyl-1,2,4-oxadiazole
CID 28782458
N-[[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine
CID 120893530

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-fluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole (CID 60731170) is 5-[(2-fluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-fluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-fluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole is CCCc1noc(COc2ccccc2F)n1.
What is the InChIKey of 5-[(2-fluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole?
The InChIKey is QDXUCTVKUWZGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-2-5-11-14-12(17-15-11)8-16-10-7-4-3-6-9(10)13/h3-4,6-7H,2,5,8H2,1H3.
What are the key properties of 5-[(2-fluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole?
5-[(2-fluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole has a molecular weight of 236.25 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 60731170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).