(3S,4R)-4-phenyl-1-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine

C18H20N4OS — CID 120760924

IUPAC(3S,4R)-4-phenyl-1-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine
SMILESCC(c1nc(-c2cccs2)no1)N1C[C@@H](N)[C@H](c2ccccc2)C1
InChIInChI=1S/C18H20N4OS/c1-12(18-20-17(21-23-18)16-8-5-9-24-16)22-10-14(15(19)11-22)13-6-3-2-4-7-13/h2-9,12,14-15H,10-11,19H2,1H3/t12?,14-,15+/m0/s1
InChIKeyAJYNSKYNWSQBFJ-JQXSQYPDSA-N
MW340.45 g/mol
LogP3.29
Rot. Bonds4

About (3S,4R)-4-phenyl-1-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine

(3S,4R)-4-phenyl-1-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine (PubChem CID 120760924) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is (3S,4R)-4-phenyl-1-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-phenyl-1-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine
PubChem CID120760924
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name(3S,4R)-4-phenyl-1-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine
SMILESCC(c1nc(-c2cccs2)no1)N1C[C@@H](N)[C@H](c2ccccc2)C1
InChIInChI=1S/C18H20N4OS/c1-12(18-20-17(21-23-18)16-8-5-9-24-16)22-10-14(15(19)11-22)13-6-3-2-4-7-13/h2-9,12,14-15H,10-11,19H2,1H3/t12?,14-,15+/m0/s1
InChIKeyAJYNSKYNWSQBFJ-JQXSQYPDSA-N
XLogP3.29
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,6S)-2,6-dimethyl-4-[(1R)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
CID 98950692
(3S,4R)-4-phenyl-1-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine
CID 120761263
(3S,4R)-4-phenyl-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 120761578
5-[1-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 51113619
(3S,4R)-1-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120761882
1-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
CID 110887633
[(3R,4R)-4-phenyl-1-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120759864
(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 40800258
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 120749036
5-[1-[(1R)-1-phenylethyl]azetidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 94219095
5-[(1S)-1-(4-ethylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 95153364
5-[(1S)-1-(2,3-dihydroindol-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-phenyl-1-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine?
The IUPAC name of (3S,4R)-4-phenyl-1-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine (CID 120760924) is (3S,4R)-4-phenyl-1-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-4-phenyl-1-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-4-phenyl-1-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine is CC(c1nc(-c2cccs2)no1)N1C[C@@H](N)[C@H](c2ccccc2)C1.
What is the InChIKey of (3S,4R)-4-phenyl-1-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine?
The InChIKey is AJYNSKYNWSQBFJ-JQXSQYPDSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-12(18-20-17(21-23-18)16-8-5-9-24-16)22-10-14(15(19)11-22)13-6-3-2-4-7-13/h2-9,12,14-15H,10-11,19H2,1H3/t12?,14-,15+/m0/s1.
What are the key properties of (3S,4R)-4-phenyl-1-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine?
(3S,4R)-4-phenyl-1-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine has a molecular weight of 340.45 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-phenyl-1-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 120760924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).