4-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-phenylbutanoic acid

C19H19N3O5 — CID 119201031

IUPAC4-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-phenylbutanoic acid
SMILESO=C(O)CCC(NC(=O)CCc1nc(-c2ccoc2)no1)c1ccccc1
InChIInChI=1S/C19H19N3O5/c23-16(7-8-17-21-19(22-27-17)14-10-11-26-12-14)20-15(6-9-18(24)25)13-4-2-1-3-5-13/h1-5,10-12,15H,6-9H2,(H,20,23)(H,24,25)
InChIKeySXQRAQOPEQOAGW-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.98
Rot. Bonds9

About 4-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-phenylbutanoic acid

4-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-phenylbutanoic acid (PubChem CID 119201031) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is 4-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-phenylbutanoic acid.

Molecular Properties

Compound Name4-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-phenylbutanoic acid
PubChem CID119201031
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name4-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-phenylbutanoic acid
SMILESO=C(O)CCC(NC(=O)CCc1nc(-c2ccoc2)no1)c1ccccc1
InChIInChI=1S/C19H19N3O5/c23-16(7-8-17-21-19(22-27-17)14-10-11-26-12-14)20-15(6-9-18(24)25)13-4-2-1-3-5-13/h1-5,10-12,15H,6-9H2,(H,20,23)(H,24,25)
InChIKeySXQRAQOPEQOAGW-UHFFFAOYSA-N
XLogP2.98
TPSA118.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-phenylbutanoic acid 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

2-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid
CID 119225155
N-benzhydryl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9192496
N-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 110204727
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methyl-1-phenylbutyl)propanamide
CID 24688394
4-[3-(1,3-benzoxazol-2-yl)propanoylamino]-4-phenylbutanoic acid
CID 119201127
N-[(1S)-2-hydroxy-1-phenylethyl]-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50968169
N-[(2R)-2-(ethylamino)propyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
CID 120652436
3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
CID 100762131
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 27660244
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 100759256
3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 100763831
3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 111441196

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-phenylbutanoic acid?
The IUPAC name of 4-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-phenylbutanoic acid (CID 119201031) is 4-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-phenylbutanoic acid.
What is the SMILES notation for 4-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-phenylbutanoic acid?
The canonical SMILES for 4-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-phenylbutanoic acid is O=C(O)CCC(NC(=O)CCc1nc(-c2ccoc2)no1)c1ccccc1.
What is the InChIKey of 4-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-phenylbutanoic acid?
The InChIKey is SXQRAQOPEQOAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c23-16(7-8-17-21-19(22-27-17)14-10-11-26-12-14)20-15(6-9-18(24)25)13-4-2-1-3-5-13/h1-5,10-12,15H,6-9H2,(H,20,23)(H,24,25).
What are the key properties of 4-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-phenylbutanoic acid?
4-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-phenylbutanoic acid has a molecular weight of 369.38 g/mol, XLogP of 2.98, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-phenylbutanoic acid is sourced from PubChem (CID 119201031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).