(2-fluorophenyl) 4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate

C15H17FN2O3 — CID 87011668

IUPAC(2-fluorophenyl) 4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate
SMILESCCCc1noc(CCCC(=O)Oc2ccccc2F)n1
InChIInChI=1S/C15H17FN2O3/c1-2-6-13-17-14(21-18-13)9-5-10-15(19)20-12-8-4-3-7-11(12)16/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyNSCHMIDAOJXMHY-UHFFFAOYSA-N
MW292.31 g/mol
LogP3.09
Rot. Bonds7

About (2-fluorophenyl) 4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate

(2-fluorophenyl) 4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate (PubChem CID 87011668) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is (2-fluorophenyl) 4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate.

Molecular Properties

Compound Name(2-fluorophenyl) 4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate
PubChem CID87011668
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name(2-fluorophenyl) 4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate
SMILESCCCc1noc(CCCC(=O)Oc2ccccc2F)n1
InChIInChI=1S/C15H17FN2O3/c1-2-6-13-17-14(21-18-13)9-5-10-15(19)20-12-8-4-3-7-11(12)16/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyNSCHMIDAOJXMHY-UHFFFAOYSA-N
XLogP3.09
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (2-fluorophenyl) 4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate 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-fluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole
CID 60731170
N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 51103920
4-O-(2-fluorophenyl) 1-O-(2-propylphenyl) butanedioate
CID 91735547
methyl 3-(4-fluorophenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate
CID 55998018
methyl (2R)-2-phenyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]acetate
CID 95275306
10-O-(2-fluorophenyl) 1-O-propyl decanedioate
CID 91736313
(2-fluorophenyl) 4-thiophen-2-ylbutanoate
CID 78777100
N'-[2-(4-fluorophenoxy)propanoyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanehydrazide
CID 55822078
N-[(4-chlorophenyl)-phenylmethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55824272
N-(4-phenoxyphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55834700
1-O-(2-fluorophenyl) 5-O-hexan-2-yl pentanedioate
CID 91709017
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 120733903

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl) 4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate?
The IUPAC name of (2-fluorophenyl) 4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate (CID 87011668) is (2-fluorophenyl) 4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate.
What is the SMILES notation for (2-fluorophenyl) 4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate?
The canonical SMILES for (2-fluorophenyl) 4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate is CCCc1noc(CCCC(=O)Oc2ccccc2F)n1.
What is the InChIKey of (2-fluorophenyl) 4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate?
The InChIKey is NSCHMIDAOJXMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-2-6-13-17-14(21-18-13)9-5-10-15(19)20-12-8-4-3-7-11(12)16/h3-4,7-8H,2,5-6,9-10H2,1H3.
What are the key properties of (2-fluorophenyl) 4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate?
(2-fluorophenyl) 4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate has a molecular weight of 292.31 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl) 4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate is sourced from PubChem (CID 87011668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).