5-[1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole

C20H18N4OS — CID 46956703

IUPAC5-[1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESc1csc(-c2noc(C3CCN(Cc4ccc5ccccc5n4)C3)n2)c1
InChIInChI=1S/C20H18N4OS/c1-2-5-17-14(4-1)7-8-16(21-17)13-24-10-9-15(12-24)20-22-19(23-25-20)18-6-3-11-26-18/h1-8,11,15H,9-10,12-13H2
InChIKeyHUYMCQSLEMUTHE-UHFFFAOYSA-N
MW362.46 g/mol
LogP4.34
Rot. Bonds4

About 5-[1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole

5-[1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 46956703) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 5-[1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID46956703
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name5-[1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESc1csc(-c2noc(C3CCN(Cc4ccc5ccccc5n4)C3)n2)c1
InChIInChI=1S/C20H18N4OS/c1-2-5-17-14(4-1)7-8-16(21-17)13-24-10-9-15(12-24)20-22-19(23-25-20)18-6-3-11-26-18/h1-8,11,15H,9-10,12-13H2
InChIKeyHUYMCQSLEMUTHE-UHFFFAOYSA-N
XLogP4.34
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 92574708
5-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 92574707
3-(2-methylphenyl)-5-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 127244653
(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-amine
CID 68962287
1-cyclopent-2-en-1-yl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 24804269
3-ethyl-1-(quinolin-2-ylmethyl)piperidin-4-ol
CID 114511029
5-[(3S)-1-benzylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95849667
2-thiophen-2-yl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 1453694
4,4,4-trifluoro-1-[(3S)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 52952732
1-(2-amino-1,3-thiazol-4-yl)-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 24804749
1-(2H-tetrazol-5-yl)-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 24804752
3-(3-methoxyphenyl)-5-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 110259393

Frequently Asked Questions

What is the IUPAC name of 5-[1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole (CID 46956703) is 5-[1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole is c1csc(-c2noc(C3CCN(Cc4ccc5ccccc5n4)C3)n2)c1.
What is the InChIKey of 5-[1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is HUYMCQSLEMUTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-2-5-17-14(4-1)7-8-16(21-17)13-24-10-9-15(12-24)20-22-19(23-25-20)18-6-3-11-26-18/h1-8,11,15H,9-10,12-13H2.
What are the key properties of 5-[1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole?
5-[1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 362.46 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 46956703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).