N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

C19H19N3O3S — CID 119046565

IUPACN-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC1(C)Cc2cccc(NC(=O)CCc3nc(-c4ccsc4)no3)c2O1
InChIInChI=1S/C19H19N3O3S/c1-19(2)10-12-4-3-5-14(17(12)24-19)20-15(23)6-7-16-21-18(22-25-16)13-8-9-26-11-13/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,20,23)
InChIKeyKUZNIOJBPATYAP-UHFFFAOYSA-N
MW369.45 g/mol
LogP4.08
Rot. Bonds5

About N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 119046565) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID119046565
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC1(C)Cc2cccc(NC(=O)CCc3nc(-c4ccsc4)no3)c2O1
InChIInChI=1S/C19H19N3O3S/c1-19(2)10-12-4-3-5-14(17(12)24-19)20-15(23)6-7-16-21-18(22-25-16)13-8-9-26-11-13/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,20,23)
InChIKeyKUZNIOJBPATYAP-UHFFFAOYSA-N
XLogP4.08
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylsulfanylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17465065
N-[2-(ethylaminomethyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
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N-(2,5-dimethylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
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3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide
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N-(4-acetyl-1,3-thiazol-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
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3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[2-(thiophen-2-ylsulfonylamino)phenyl]propanamide
CID 30885633
N-(4-iodophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17486628
N-(3-methylsulfonylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9072654
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N-(2,3-dihydro-1H-inden-5-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 119046565) is N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is CC1(C)Cc2cccc(NC(=O)CCc3nc(-c4ccsc4)no3)c2O1.
What is the InChIKey of N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is KUZNIOJBPATYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-19(2)10-12-4-3-5-14(17(12)24-19)20-15(23)6-7-16-21-18(22-25-16)13-8-9-26-11-13/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,20,23).
What are the key properties of N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 369.45 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 119046565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).