5-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,2,4-oxadiazol-3-amine

C18H20N4OS — CID 133481548

IUPAC5-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,2,4-oxadiazol-3-amine
SMILESc1ccc(-c2nc(NCC(c3cccs3)N3CCCC3)no2)cc1
InChIInChI=1S/C18H20N4OS/c1-2-7-14(8-3-1)17-20-18(21-23-17)19-13-15(16-9-6-12-24-16)22-10-4-5-11-22/h1-3,6-9,12,15H,4-5,10-11,13H2,(H,19,21)
InChIKeyZACKTACTOZYAEP-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.05
Rot. Bonds6

About 5-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,2,4-oxadiazol-3-amine

5-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,2,4-oxadiazol-3-amine (PubChem CID 133481548) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 5-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,2,4-oxadiazol-3-amine
PubChem CID133481548
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name5-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,2,4-oxadiazol-3-amine
SMILESc1ccc(-c2nc(NCC(c3cccs3)N3CCCC3)no2)cc1
InChIInChI=1S/C18H20N4OS/c1-2-7-14(8-3-1)17-20-18(21-23-17)19-13-15(16-9-6-12-24-16)22-10-4-5-11-22/h1-3,6-9,12,15H,4-5,10-11,13H2,(H,19,21)
InChIKeyZACKTACTOZYAEP-UHFFFAOYSA-N
XLogP4.05
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,2,4-oxadiazol-3-amine with MolForge

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Related Compounds

4-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 42917071
1-ethyl-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine
CID 111554015
N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950040
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35042267
5-tert-butyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 133382500
2-pyridin-3-yl-5-[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 51699426
3-ethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol
CID 133483185
4-methyl-5-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol
CID 133483445
5-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide
CID 51075751
2-phenyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 15145540
4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-1,3-oxazol-5-amine
CID 171336612
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,2,4-oxadiazol-3-amine (CID 133481548) is 5-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,2,4-oxadiazol-3-amine is c1ccc(-c2nc(NCC(c3cccs3)N3CCCC3)no2)cc1.
What is the InChIKey of 5-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,2,4-oxadiazol-3-amine?
The InChIKey is ZACKTACTOZYAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-2-7-14(8-3-1)17-20-18(21-23-17)19-13-15(16-9-6-12-24-16)22-10-4-5-11-22/h1-3,6-9,12,15H,4-5,10-11,13H2,(H,19,21).
What are the key properties of 5-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,2,4-oxadiazol-3-amine?
5-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,2,4-oxadiazol-3-amine has a molecular weight of 340.45 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 133481548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).