N-(4-ethylphenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide

C17H17N3O3 — CID 36705195

IUPACN-(4-ethylphenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCc1ccc(NC(=O)CCc2nc(-c3ccco3)no2)cc1
InChIInChI=1S/C17H17N3O3/c1-2-12-5-7-13(8-6-12)18-15(21)9-10-16-19-17(20-23-16)14-4-3-11-22-14/h3-8,11H,2,9-10H2,1H3,(H,18,21)
InChIKeyASBQWZLXIBGUOT-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.46
Rot. Bonds6

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

N-(4-ethylphenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 36705195) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID36705195
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-(4-ethylphenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCc1ccc(NC(=O)CCc2nc(-c3ccco3)no2)cc1
InChIInChI=1S/C17H17N3O3/c1-2-12-5-7-13(8-6-12)18-15(21)9-10-16-19-17(20-23-16)14-4-3-11-22-14/h3-8,11H,2,9-10H2,1H3,(H,18,21)
InChIKeyASBQWZLXIBGUOT-UHFFFAOYSA-N
XLogP3.46
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 4-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate
CID 36801497
N-(3,4-dichlorophenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 36654595
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-(methylcarbamoylamino)phenyl]propanamide
CID 36862559
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylsulfonylphenyl)propanamide
CID 33160233
(2S)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid
CID 119238162
N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 25334762
N-(2,3-dihydro-1H-inden-5-yl)-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 24622387
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]propanamide
CID 86921929
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]propanamide
CID 55886585
2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-[(4-methylphenyl)methyl]benzamide
CID 55555220
3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-2,2-dimethylpropanoic acid
CID 119249678
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 36816873

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(4-ethylphenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide (CID 36705195) is N-(4-ethylphenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(4-ethylphenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide is CCc1ccc(NC(=O)CCc2nc(-c3ccco3)no2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is ASBQWZLXIBGUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-2-12-5-7-13(8-6-12)18-15(21)9-10-16-19-17(20-23-16)14-4-3-11-22-14/h3-8,11H,2,9-10H2,1H3,(H,18,21).
What are the key properties of N-(4-ethylphenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(4-ethylphenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 311.34 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 36705195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).