4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide

C18H19N3O4 — CID 100907272

IUPAC4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
SMILESO=C(CCCc1nc(-c2ccco2)no1)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C18H19N3O4/c22-12-14(13-6-2-1-3-7-13)19-16(23)9-4-10-17-20-18(21-25-17)15-8-5-11-24-15/h1-3,5-8,11,14,22H,4,9-10,12H2,(H,19,23)/t14-/m0/s1
InChIKeyJYAOCYLMBXUEGB-AWEZNQCLSA-N
MW341.37 g/mol
LogP2.50
Rot. Bonds8

About 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide

4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide (PubChem CID 100907272) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide.

Molecular Properties

Compound Name4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
PubChem CID100907272
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
SMILESO=C(CCCc1nc(-c2ccco2)no1)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C18H19N3O4/c22-12-14(13-6-2-1-3-7-13)19-16(23)9-4-10-17-20-18(21-25-17)15-8-5-11-24-15/h1-3,5-8,11,14,22H,4,9-10,12H2,(H,19,23)/t14-/m0/s1
InChIKeyJYAOCYLMBXUEGB-AWEZNQCLSA-N
XLogP2.50
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide with MolForge

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Related Compounds

(2S)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid
CID 119238162
N-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 110204727
N-[(1S)-2-hydroxy-1-phenylethyl]-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50968169
4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79193177
N-[1-(4-methylphenyl)propyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 24543553
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide
CID 110004468
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]propanamide
CID 86921929
4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 107863809
N-(1-amino-4-methylpentan-2-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
CID 119586530
3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-2,2-dimethylpropanoic acid
CID 119249678
N-(3,4-dichlorophenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 36654595
N-(2-anilino-3-methylbutyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55554755

Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide?
The IUPAC name of 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide (CID 100907272) is 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide.
What is the SMILES notation for 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide?
The canonical SMILES for 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide is O=C(CCCc1nc(-c2ccco2)no1)N[C@@H](CO)c1ccccc1.
What is the InChIKey of 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide?
The InChIKey is JYAOCYLMBXUEGB-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N3O4/c22-12-14(13-6-2-1-3-7-13)19-16(23)9-4-10-17-20-18(21-25-17)15-8-5-11-24-15/h1-3,5-8,11,14,22H,4,9-10,12H2,(H,19,23)/t14-/m0/s1.
What are the key properties of 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide?
4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide has a molecular weight of 341.37 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide is sourced from PubChem (CID 100907272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).