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

C17H17N5O4 — CID 36862559

IUPAC3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-(methylcarbamoylamino)phenyl]propanamide
SMILESCNC(=O)Nc1cccc(NC(=O)CCc2nc(-c3ccco3)no2)c1
InChIInChI=1S/C17H17N5O4/c1-18-17(24)20-12-5-2-4-11(10-12)19-14(23)7-8-15-21-16(22-26-15)13-6-3-9-25-13/h2-6,9-10H,7-8H2,1H3,(H,19,23)(H2,18,20,24)
InChIKeyYQOPKFCSDJBOHD-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.65
Rot. Bonds6

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

3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-(methylcarbamoylamino)phenyl]propanamide (PubChem CID 36862559) has the molecular formula C17H17N5O4 and a molecular weight of 355.35 g/mol. Its IUPAC name is 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-(methylcarbamoylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-(methylcarbamoylamino)phenyl]propanamide
PubChem CID36862559
Molecular FormulaC17H17N5O4
Molecular Weight355.35 g/mol
Exact Mass355.13
IUPAC Name3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-(methylcarbamoylamino)phenyl]propanamide
SMILESCNC(=O)Nc1cccc(NC(=O)CCc2nc(-c3ccco3)no2)c1
InChIInChI=1S/C17H17N5O4/c1-18-17(24)20-12-5-2-4-11(10-12)19-14(23)7-8-15-21-16(22-26-15)13-6-3-9-25-13/h2-6,9-10H,7-8H2,1H3,(H,19,23)(H2,18,20,24)
InChIKeyYQOPKFCSDJBOHD-UHFFFAOYSA-N
XLogP2.65
TPSA122.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylsulfonylphenyl)propanamide
CID 33160233
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-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]propanamide
CID 55886585
N-(4-ethylphenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 36705195
propyl 4-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate
CID 36801497
(2S)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid
CID 119238162
N-(5-bromo-2-methoxyphenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55906686
N-[4-(methylcarbamoylamino)phenyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55626773
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55784520
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 55553285
3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-2,2-dimethylpropanoic acid
CID 119249678
N-[3-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 75447526

Frequently Asked Questions

What is the IUPAC name of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-(methylcarbamoylamino)phenyl]propanamide?
The IUPAC name of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-(methylcarbamoylamino)phenyl]propanamide (CID 36862559) is 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-(methylcarbamoylamino)phenyl]propanamide.
What is the SMILES notation for 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-(methylcarbamoylamino)phenyl]propanamide?
The canonical SMILES for 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-(methylcarbamoylamino)phenyl]propanamide is CNC(=O)Nc1cccc(NC(=O)CCc2nc(-c3ccco3)no2)c1.
What is the InChIKey of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-(methylcarbamoylamino)phenyl]propanamide?
The InChIKey is YQOPKFCSDJBOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4/c1-18-17(24)20-12-5-2-4-11(10-12)19-14(23)7-8-15-21-16(22-26-15)13-6-3-9-25-13/h2-6,9-10H,7-8H2,1H3,(H,19,23)(H2,18,20,24).
What are the key properties of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-(methylcarbamoylamino)phenyl]propanamide?
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-(methylcarbamoylamino)phenyl]propanamide has a molecular weight of 355.35 g/mol, XLogP of 2.65, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-(methylcarbamoylamino)phenyl]propanamide is sourced from PubChem (CID 36862559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).