N-[[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]cyclobutanecarboxamide

C16H15N3O2S2 — CID 53156123

IUPACN-[[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]cyclobutanecarboxamide
SMILESO=C(NCc1ccc(-c2nc(-c3cccs3)no2)s1)C1CCC1
InChIInChI=1S/C16H15N3O2S2/c20-15(10-3-1-4-10)17-9-11-6-7-13(23-11)16-18-14(19-21-16)12-5-2-8-22-12/h2,5-8,10H,1,3-4,9H2,(H,17,20)
InChIKeyFTMAAQKMZVCNJR-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.94
Rot. Bonds5

About N-[[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]cyclobutanecarboxamide

N-[[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]cyclobutanecarboxamide (PubChem CID 53156123) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]cyclobutanecarboxamide
PubChem CID53156123
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC NameN-[[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]cyclobutanecarboxamide
SMILESO=C(NCc1ccc(-c2nc(-c3cccs3)no2)s1)C1CCC1
InChIInChI=1S/C16H15N3O2S2/c20-15(10-3-1-4-10)17-9-11-6-7-13(23-11)16-18-14(19-21-16)12-5-2-8-22-12/h2,5-8,10H,1,3-4,9H2,(H,17,20)
InChIKeyFTMAAQKMZVCNJR-UHFFFAOYSA-N
XLogP3.94
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexanecarboxamide
CID 110293437
N-[[5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 53126134
N-[[5-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 53126126
N-[[5-[5-(2-phenylethenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 71843324
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide
CID 2738811
N-[[5-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 53126197
1-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 50947861
1-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 50945072
N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110293463
N-(pyridin-4-ylmethyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43934995
N-[(2-methylphenyl)methyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43934971
N-[(3-methylphenyl)methyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43928874

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]cyclobutanecarboxamide (CID 53156123) is N-[[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]cyclobutanecarboxamide is O=C(NCc1ccc(-c2nc(-c3cccs3)no2)s1)C1CCC1.
What is the InChIKey of N-[[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]cyclobutanecarboxamide?
The InChIKey is FTMAAQKMZVCNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c20-15(10-3-1-4-10)17-9-11-6-7-13(23-11)16-18-14(19-21-16)12-5-2-8-22-12/h2,5-8,10H,1,3-4,9H2,(H,17,20).
What are the key properties of N-[[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]cyclobutanecarboxamide?
N-[[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]cyclobutanecarboxamide has a molecular weight of 345.45 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 53156123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).