3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate

C24H22N4O5 — CID 55939237

IUPAC3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)OCCCc1nc(-c2cccnc2)no1)c1ccco1
InChIInChI=1S/C24H22N4O5/c29-23(20-10-5-13-31-20)26-19(15-17-7-2-1-3-8-17)24(30)32-14-6-11-21-27-22(28-33-21)18-9-4-12-25-16-18/h1-5,7-10,12-13,16,19H,6,11,14-15H2,(H,26,29)/t19-/m0/s1
InChIKeyPRUOPOYQTYSMAB-IBGZPJMESA-N
MW446.46 g/mol
LogP3.24
Rot. Bonds10

About 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate

3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate (PubChem CID 55939237) has the molecular formula C24H22N4O5 and a molecular weight of 446.46 g/mol. Its IUPAC name is 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate.

Molecular Properties

Compound Name3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
PubChem CID55939237
Molecular FormulaC24H22N4O5
Molecular Weight446.46 g/mol
Exact Mass446.16
IUPAC Name3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)OCCCc1nc(-c2cccnc2)no1)c1ccco1
InChIInChI=1S/C24H22N4O5/c29-23(20-10-5-13-31-20)26-19(15-17-7-2-1-3-8-17)24(30)32-14-6-11-21-27-22(28-33-21)18-9-4-12-25-16-18/h1-5,7-10,12-13,16,19H,6,11,14-15H2,(H,26,29)/t19-/m0/s1
InChIKeyPRUOPOYQTYSMAB-IBGZPJMESA-N
XLogP3.24
TPSA120.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 55939021
3-pyridin-3-ylpropyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 78772681
3-pyridin-4-ylpropyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 78772298
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 3-[(2-methylbenzoyl)amino]propanoate
CID 55568394
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 3159643
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
CID 97457797
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 55568956
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 3-(pyrimidin-2-ylamino)propanoate
CID 55998602
ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 43877560
(5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 8578893
[(2S)-2-benzamido-3-phenylpropyl] (2R)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 127025927
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 2-(3,4-dimethoxyphenyl)acetate
CID 55568618

Frequently Asked Questions

What is the IUPAC name of 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The IUPAC name of 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate (CID 55939237) is 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate.
What is the SMILES notation for 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The canonical SMILES for 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate is O=C(N[C@@H](Cc1ccccc1)C(=O)OCCCc1nc(-c2cccnc2)no1)c1ccco1.
What is the InChIKey of 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The InChIKey is PRUOPOYQTYSMAB-IBGZPJMESA-N. The full InChI is InChI=1S/C24H22N4O5/c29-23(20-10-5-13-31-20)26-19(15-17-7-2-1-3-8-17)24(30)32-14-6-11-21-27-22(28-33-21)18-9-4-12-25-16-18/h1-5,7-10,12-13,16,19H,6,11,14-15H2,(H,26,29)/t19-/m0/s1.
What are the key properties of 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate has a molecular weight of 446.46 g/mol, XLogP of 3.24, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate is sourced from PubChem (CID 55939237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).