N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

C21H23N3O2S — CID 24549306

IUPACN-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(NC(=O)CCc1nc(-c2ccsc2)no1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H23N3O2S/c1-14(16-7-6-15-4-2-3-5-17(15)12-16)22-19(25)8-9-20-23-21(24-26-20)18-10-11-27-13-18/h6-7,10-14H,2-5,8-9H2,1H3,(H,22,25)
InChIKeyNJLRQFFAHJCXSJ-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.49
Rot. Bonds6

About N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 24549306) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID24549306
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(NC(=O)CCc1nc(-c2ccsc2)no1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H23N3O2S/c1-14(16-7-6-15-4-2-3-5-17(15)12-16)22-19(25)8-9-20-23-21(24-26-20)18-10-11-27-13-18/h6-7,10-14H,2-5,8-9H2,1H3,(H,22,25)
InChIKeyNJLRQFFAHJCXSJ-UHFFFAOYSA-N
XLogP4.49
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 24549306) is N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is CC(NC(=O)CCc1nc(-c2ccsc2)no1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is NJLRQFFAHJCXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-14(16-7-6-15-4-2-3-5-17(15)12-16)22-19(25)8-9-20-23-21(24-26-20)18-10-11-27-13-18/h6-7,10-14H,2-5,8-9H2,1H3,(H,22,25).
What are the key properties of N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 381.50 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 24549306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).