N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C17H23N3O2S — CID 71882698

IUPACN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCC(C)(C)c1nc(C(C)(C)NC(=O)c2cc3c(s2)CCC3)no1
InChIInChI=1S/C17H23N3O2S/c1-16(2,3)15-18-14(20-22-15)17(4,5)19-13(21)12-9-10-7-6-8-11(10)23-12/h9H,6-8H2,1-5H3,(H,19,21)
InChIKeyWHKXBWCMWBWKRY-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.58
Rot. Bonds3

About N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 71882698) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID71882698
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCC(C)(C)c1nc(C(C)(C)NC(=O)c2cc3c(s2)CCC3)no1
InChIInChI=1S/C17H23N3O2S/c1-16(2,3)15-18-14(20-22-15)17(4,5)19-13(21)12-9-10-7-6-8-11(10)23-12/h9H,6-8H2,1-5H3,(H,19,21)
InChIKeyWHKXBWCMWBWKRY-UHFFFAOYSA-N
XLogP3.58
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 43390537
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-fluorobenzamide
CID 51099069
N-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 43391481
N-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 39903793
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-1-methylpyrrole-2-carboxamide
CID 71935688
N-[(2R)-3,3-dimethylbutan-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 1247016
N'-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 36703614
N-[3-(aminomethyl)pentan-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119571835
N-[3-(chloromethyl)pentan-3-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 114304496
5-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-propylthiophene-2-carboxamide
CID 132986647
N-(1-amino-2,3-dimethylbutan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 81487088
N'-acetyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 43004091

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 71882698) is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is CC(C)(C)c1nc(C(C)(C)NC(=O)c2cc3c(s2)CCC3)no1.
What is the InChIKey of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is WHKXBWCMWBWKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-16(2,3)15-18-14(20-22-15)17(4,5)19-13(21)12-9-10-7-6-8-11(10)23-12/h9H,6-8H2,1-5H3,(H,19,21).
What are the key properties of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 71882698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).