N-[1-(3,4-dichlorophenyl)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C17H15Cl2N3O2S — CID 55415410

IUPACN-[1-(3,4-dichlorophenyl)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(NC(=O)CCc1nc(-c2cccs2)no1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H15Cl2N3O2S/c1-10(11-4-5-12(18)13(19)9-11)20-15(23)6-7-16-21-17(22-24-16)14-3-2-8-25-14/h2-5,8-10H,6-7H2,1H3,(H,20,23)
InChIKeyADVURSGJEGONNA-UHFFFAOYSA-N
MW396.30 g/mol
LogP4.91
Rot. Bonds6

About N-[1-(3,4-dichlorophenyl)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[1-(3,4-dichlorophenyl)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 55415410) has the molecular formula C17H15Cl2N3O2S and a molecular weight of 396.30 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID55415410
Molecular FormulaC17H15Cl2N3O2S
Molecular Weight396.30 g/mol
Exact Mass395.03
IUPAC NameN-[1-(3,4-dichlorophenyl)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(NC(=O)CCc1nc(-c2cccs2)no1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H15Cl2N3O2S/c1-10(11-4-5-12(18)13(19)9-11)20-15(23)6-7-16-21-17(22-24-16)14-3-2-8-25-14/h2-5,8-10H,6-7H2,1H3,(H,20,23)
InChIKeyADVURSGJEGONNA-UHFFFAOYSA-N
XLogP4.91
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.30
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-naphthalen-2-ylethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51231484
N-pentan-2-yl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18089543
N,4-dimethyl-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanamide
CID 55751216
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55901614
N-[1-(4-methylphenyl)propyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18090208
N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18269391
N-[1-(4-methoxyphenyl)propyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18115498
2-methyl-N-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]propanamide
CID 36557890
N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 31513365
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 31110120
N-[2-(ethylamino)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119504800
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 47083449

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 55415410) is N-[1-(3,4-dichlorophenyl)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is CC(NC(=O)CCc1nc(-c2cccs2)no1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is ADVURSGJEGONNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O2S/c1-10(11-4-5-12(18)13(19)9-11)20-15(23)6-7-16-21-17(22-24-16)14-3-2-8-25-14/h2-5,8-10H,6-7H2,1H3,(H,20,23).
What are the key properties of N-[1-(3,4-dichlorophenyl)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[1-(3,4-dichlorophenyl)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 396.30 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 55415410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).