N-(4-chloro-2-fluorophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C15H11ClFN3O2S — CID 51229501

IUPACN-(4-chloro-2-fluorophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2cccs2)no1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C15H11ClFN3O2S/c16-9-3-4-11(10(17)8-9)18-13(21)5-6-14-19-15(20-22-14)12-2-1-7-23-12/h1-4,7-8H,5-6H2,(H,18,21)
InChIKeyGEDMIWNJPGYISK-UHFFFAOYSA-N
MW351.79 g/mol
LogP4.16
Rot. Bonds5

About N-(4-chloro-2-fluorophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-(4-chloro-2-fluorophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 51229501) has the molecular formula C15H11ClFN3O2S and a molecular weight of 351.79 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID51229501
Molecular FormulaC15H11ClFN3O2S
Molecular Weight351.79 g/mol
Exact Mass351.02
IUPAC NameN-(4-chloro-2-fluorophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2cccs2)no1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C15H11ClFN3O2S/c16-9-3-4-11(10(17)8-9)18-13(21)5-6-14-19-15(20-22-14)12-2-1-7-23-12/h1-4,7-8H,5-6H2,(H,18,21)
InChIKeyGEDMIWNJPGYISK-UHFFFAOYSA-N
XLogP4.16
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluoro-5-methylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 36666041
3-chloro-N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide
CID 9086680
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 52615179
N-[(2-fluorophenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18105801
2-methyl-N-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]propanamide
CID 36557890
N-[2-(ethylaminomethyl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119438806
N-(2-phenylsulfanylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 24655609
N-(3-methylsulfanylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17482609
N-(4-phenylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9075415
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 31656544
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-difluorophenyl)propanamide
CID 100757698
3-methyl-N-(2-methylpropyl)-4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 51229501) is N-(4-chloro-2-fluorophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2cccs2)no1)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is GEDMIWNJPGYISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O2S/c16-9-3-4-11(10(17)8-9)18-13(21)5-6-14-19-15(20-22-14)12-2-1-7-23-12/h1-4,7-8H,5-6H2,(H,18,21).
What are the key properties of N-(4-chloro-2-fluorophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(4-chloro-2-fluorophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 351.79 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 51229501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).