N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylthiophene-2-carboxamide

C13H15N3O2S — CID 77092585

IUPACN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCCc1nc(C2CC2)no1
InChIInChI=1S/C13H15N3O2S/c1-8-5-7-19-11(8)13(17)14-6-4-10-15-12(16-18-10)9-2-3-9/h5,7,9H,2-4,6H2,1H3,(H,14,17)
InChIKeyWPXNVWGEFRYGBK-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.29
Rot. Bonds5

About N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylthiophene-2-carboxamide

N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylthiophene-2-carboxamide (PubChem CID 77092585) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylthiophene-2-carboxamide
PubChem CID77092585
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCCc1nc(C2CC2)no1
InChIInChI=1S/C13H15N3O2S/c1-8-5-7-19-11(8)13(17)14-6-4-10-15-12(16-18-10)9-2-3-9/h5,7,9H,2-4,6H2,1H3,(H,14,17)
InChIKeyWPXNVWGEFRYGBK-UHFFFAOYSA-N
XLogP2.29
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide
CID 119072785
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-3-ylacetamide
CID 77095090
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55890848
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 77080498
3-methyl-N-[2-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 31250662
3-methyl-N-(oxiran-2-ylmethyl)thiophene-2-carboxamide
CID 102548440
2-(azepan-1-yl)-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 90648888
5-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-2-fluoro-N-methylbenzamide
CID 74242097
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 63346459
N-(cyclobutylmethyl)-3-methylthiophene-2-carboxamide
CID 94169217
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylthiophene-2-carboxamide
CID 47344953
N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
CID 91772646

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylthiophene-2-carboxamide (CID 77092585) is N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NCCc1nc(C2CC2)no1.
What is the InChIKey of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylthiophene-2-carboxamide?
The InChIKey is WPXNVWGEFRYGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-8-5-7-19-11(8)13(17)14-6-4-10-15-12(16-18-10)9-2-3-9/h5,7,9H,2-4,6H2,1H3,(H,14,17).
What are the key properties of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylthiophene-2-carboxamide?
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylthiophene-2-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 77092585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).