methyl 3-(4-fluorophenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate

C19H24FN3O4 — CID 55998018

IUPACmethyl 3-(4-fluorophenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate
SMILESCCCc1noc(CCCC(=O)NC(CC(=O)OC)c2ccc(F)cc2)n1
InChIInChI=1S/C19H24FN3O4/c1-3-5-16-22-18(27-23-16)7-4-6-17(24)21-15(12-19(25)26-2)13-8-10-14(20)11-9-13/h8-11,15H,3-7,12H2,1-2H3,(H,21,24)
InChIKeyUIRNPPNQEVZWST-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.90
Rot. Bonds10

About methyl 3-(4-fluorophenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate

methyl 3-(4-fluorophenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate (PubChem CID 55998018) has the molecular formula C19H24FN3O4 and a molecular weight of 377.42 g/mol. Its IUPAC name is methyl 3-(4-fluorophenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-(4-fluorophenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate
PubChem CID55998018
Molecular FormulaC19H24FN3O4
Molecular Weight377.42 g/mol
Exact Mass377.18
IUPAC Namemethyl 3-(4-fluorophenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate
SMILESCCCc1noc(CCCC(=O)NC(CC(=O)OC)c2ccc(F)cc2)n1
InChIInChI=1S/C19H24FN3O4/c1-3-5-16-22-18(27-23-16)7-4-6-17(24)21-15(12-19(25)26-2)13-8-10-14(20)11-9-13/h8-11,15H,3-7,12H2,1-2H3,(H,21,24)
InChIKeyUIRNPPNQEVZWST-UHFFFAOYSA-N
XLogP2.90
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-(4-fluorophenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate 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

methyl 3-(4-methylphenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate
CID 55821846
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 30656152
methyl (2R)-2-phenyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]acetate
CID 95275306
N'-[2-(4-fluorophenoxy)propanoyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanehydrazide
CID 55822078
N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 120567918
methyl 3-[3-(4-fluorophenyl)propanoylamino]-3-(4-methoxyphenyl)propanoate
CID 134015771
N-[(4-chlorophenyl)-phenylmethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55824272
(2-fluorophenyl) 4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate
CID 87011668
(2S)-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoic acid
CID 119238057
2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]butanoic acid
CID 119223527
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119526959
methyl (3S)-3-(pentanoylamino)-3-phenylpropanoate
CID 94017394

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-fluorophenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate?
The IUPAC name of methyl 3-(4-fluorophenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate (CID 55998018) is methyl 3-(4-fluorophenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate.
What is the SMILES notation for methyl 3-(4-fluorophenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate?
The canonical SMILES for methyl 3-(4-fluorophenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate is CCCc1noc(CCCC(=O)NC(CC(=O)OC)c2ccc(F)cc2)n1.
What is the InChIKey of methyl 3-(4-fluorophenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate?
The InChIKey is UIRNPPNQEVZWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O4/c1-3-5-16-22-18(27-23-16)7-4-6-17(24)21-15(12-19(25)26-2)13-8-10-14(20)11-9-13/h8-11,15H,3-7,12H2,1-2H3,(H,21,24).
What are the key properties of methyl 3-(4-fluorophenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate?
methyl 3-(4-fluorophenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate has a molecular weight of 377.42 g/mol, XLogP of 2.90, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-fluorophenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate is sourced from PubChem (CID 55998018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).