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

C19H23N3O2S — CID 110322492

IUPACN-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]adamantane-1-carboxamide
SMILESO=C(NCCc1nnc(-c2cccs2)o1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23N3O2S/c23-18(19-9-12-6-13(10-19)8-14(7-12)11-19)20-4-3-16-21-22-17(24-16)15-2-1-5-25-15/h1-2,5,12-14H,3-4,6-11H2,(H,20,23)
InChIKeyUYWKWJYOTQHMAV-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.67
Rot. Bonds5

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

N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]adamantane-1-carboxamide (PubChem CID 110322492) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]adamantane-1-carboxamide
PubChem CID110322492
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]adamantane-1-carboxamide
SMILESO=C(NCCc1nnc(-c2cccs2)o1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23N3O2S/c23-18(19-9-12-6-13(10-19)8-14(7-12)11-19)20-4-3-16-21-22-17(24-16)15-2-1-5-25-15/h1-2,5,12-14H,3-4,6-11H2,(H,20,23)
InChIKeyUYWKWJYOTQHMAV-UHFFFAOYSA-N
XLogP3.67
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]adamantane-1-carboxamide (CID 110322492) is N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]adamantane-1-carboxamide is O=C(NCCc1nnc(-c2cccs2)o1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]adamantane-1-carboxamide?
The InChIKey is UYWKWJYOTQHMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c23-18(19-9-12-6-13(10-19)8-14(7-12)11-19)20-4-3-16-21-22-17(24-16)15-2-1-5-25-15/h1-2,5,12-14H,3-4,6-11H2,(H,20,23).
What are the key properties of N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]adamantane-1-carboxamide?
N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]adamantane-1-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 110322492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).