N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide

C17H17N5O2S — CID 45185745

IUPACN-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide
SMILESO=C(NCc1nc(-c2ccccn2)no1)c1ccc(C2CCCN2)s1
InChIInChI=1S/C17H17N5O2S/c23-17(14-7-6-13(25-14)11-5-3-9-18-11)20-10-15-21-16(22-24-15)12-4-1-2-8-19-12/h1-2,4,6-8,11,18H,3,5,9-10H2,(H,20,23)
InChIKeyAEFHRDKYTKAMOT-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.55
Rot. Bonds5

About N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide

N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide (PubChem CID 45185745) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide
PubChem CID45185745
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC NameN-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide
SMILESO=C(NCc1nc(-c2ccccn2)no1)c1ccc(C2CCCN2)s1
InChIInChI=1S/C17H17N5O2S/c23-17(14-7-6-13(25-14)11-5-3-9-18-11)20-10-15-21-16(22-24-15)12-4-1-2-8-19-12/h1-2,4,6-8,11,18H,3,5,9-10H2,(H,20,23)
InChIKeyAEFHRDKYTKAMOT-UHFFFAOYSA-N
XLogP2.55
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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N-(2-fluoroethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide
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CID 45206060
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CID 154837830
N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(triazol-1-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide?
The IUPAC name of N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide (CID 45185745) is N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide is O=C(NCc1nc(-c2ccccn2)no1)c1ccc(C2CCCN2)s1.
What is the InChIKey of N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide?
The InChIKey is AEFHRDKYTKAMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c23-17(14-7-6-13(25-14)11-5-3-9-18-11)20-10-15-21-16(22-24-15)12-4-1-2-8-19-12/h1-2,4,6-8,11,18H,3,5,9-10H2,(H,20,23).
What are the key properties of N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide?
N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 45185745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).