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

C15H15F3N4O3S — CID 110323229

IUPACN-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCc1nc(-c2cccs2)no1)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C15H15F3N4O3S/c16-15(17,18)14(24)22-7-1-3-9(22)13(23)19-6-5-11-20-12(21-25-11)10-4-2-8-26-10/h2,4,8-9H,1,3,5-7H2,(H,19,23)
InChIKeyBMYSGOLADPIOER-UHFFFAOYSA-N
MW388.37 g/mol
LogP2.01
Rot. Bonds5

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

N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (PubChem CID 110323229) has the molecular formula C15H15F3N4O3S and a molecular weight of 388.37 g/mol. Its IUPAC name is N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
PubChem CID110323229
Molecular FormulaC15H15F3N4O3S
Molecular Weight388.37 g/mol
Exact Mass388.08
IUPAC NameN-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCc1nc(-c2cccs2)no1)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C15H15F3N4O3S/c16-15(17,18)14(24)22-7-1-3-9(22)13(23)19-6-5-11-20-12(21-25-11)10-4-2-8-26-10/h2,4,8-9H,1,3,5-7H2,(H,19,23)
InChIKeyBMYSGOLADPIOER-UHFFFAOYSA-N
XLogP2.01
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356502
N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110293463
1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-2-carboxylic acid
CID 119137745
N-(furan-2-ylmethyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 55579042
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 119648750
N-(3-pyrrolidin-1-ylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935177
N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 110323159
N-[2-(cycloheptylamino)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119619263
1-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 138994959
N-(2-aminoethyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide;hydrochloride
CID 119482272
N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexanecarboxamide
CID 110293437
4-methyl-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 51064599

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (CID 110323229) is N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is O=C(NCCc1nc(-c2cccs2)no1)C1CCCN1C(=O)C(F)(F)F.
What is the InChIKey of N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The InChIKey is BMYSGOLADPIOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O3S/c16-15(17,18)14(24)22-7-1-3-9(22)13(23)19-6-5-11-20-12(21-25-11)10-4-2-8-26-10/h2,4,8-9H,1,3,5-7H2,(H,19,23).
What are the key properties of N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide has a molecular weight of 388.37 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110323229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).