N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-3-phenylpropanamide

C20H23N3O3 — CID 83273049

IUPACN-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-3-phenylpropanamide
SMILESCCC(C)C(NC(=O)CCc1ccccc1)c1nc(-c2ccco2)no1
InChIInChI=1S/C20H23N3O3/c1-3-14(2)18(20-22-19(23-26-20)16-10-7-13-25-16)21-17(24)12-11-15-8-5-4-6-9-15/h4-10,13-14,18H,3,11-12H2,1-2H3,(H,21,24)
InChIKeyZOTUYKMPECCHIJ-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.17
Rot. Bonds8

About N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-3-phenylpropanamide

N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-3-phenylpropanamide (PubChem CID 83273049) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-3-phenylpropanamide
PubChem CID83273049
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-3-phenylpropanamide
SMILESCCC(C)C(NC(=O)CCc1ccccc1)c1nc(-c2ccco2)no1
InChIInChI=1S/C20H23N3O3/c1-3-14(2)18(20-22-19(23-26-20)16-10-7-13-25-16)21-17(24)12-11-15-8-5-4-6-9-15/h4-10,13-14,18H,3,11-12H2,1-2H3,(H,21,24)
InChIKeyZOTUYKMPECCHIJ-UHFFFAOYSA-N
XLogP4.17
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-3-phenylpropanamide
CID 83280875
N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-3-phenylpropanamide
CID 93117460
N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-methylbenzamide
CID 83277387
N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-phenylmethoxyacetamide
CID 83272633
N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-(trifluoromethyl)benzamide
CID 83273053
(2S)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid
CID 119238162
N-[(1R,2S)-2-methyl-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butyl]furan-2-carboxamide
CID 98370359
N-[1-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]furan-2-carboxamide
CID 91635492
N-[(1R,2S)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-2-phenylmethoxyacetamide
CID 98370312
3-phenyl-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 93072769
N-[1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-3-phenylpropanamide
CID 83284501
N-[(1S,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]furan-2-carboxamide
CID 93071124

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-3-phenylpropanamide?
The IUPAC name of N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-3-phenylpropanamide (CID 83273049) is N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-3-phenylpropanamide?
The canonical SMILES for N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-3-phenylpropanamide is CCC(C)C(NC(=O)CCc1ccccc1)c1nc(-c2ccco2)no1.
What is the InChIKey of N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-3-phenylpropanamide?
The InChIKey is ZOTUYKMPECCHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-3-14(2)18(20-22-19(23-26-20)16-10-7-13-25-16)21-17(24)12-11-15-8-5-4-6-9-15/h4-10,13-14,18H,3,11-12H2,1-2H3,(H,21,24).
What are the key properties of N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-3-phenylpropanamide?
N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-3-phenylpropanamide has a molecular weight of 353.42 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-3-phenylpropanamide is sourced from PubChem (CID 83273049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).