2-[(1R)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole

C18H19N3OS — CID 41041689

IUPAC2-[(1R)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCc1ccc2c(c1)CCCN2[C@H](C)c1nnc(-c2cccs2)o1
InChIInChI=1S/C18H19N3OS/c1-12-7-8-15-14(11-12)5-3-9-21(15)13(2)17-19-20-18(22-17)16-6-4-10-23-16/h4,6-8,10-11,13H,3,5,9H2,1-2H3/t13-/m1/s1
InChIKeyCXYJGWTVSQUDDA-CYBMUJFWSA-N
MW325.44 g/mol
LogP4.62
Rot. Bonds3

About 2-[(1R)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole

2-[(1R)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 41041689) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 2-[(1R)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(1R)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID41041689
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name2-[(1R)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCc1ccc2c(c1)CCCN2[C@H](C)c1nnc(-c2cccs2)o1
InChIInChI=1S/C18H19N3OS/c1-12-7-8-15-14(11-12)5-3-9-21(15)13(2)17-19-20-18(22-17)16-6-4-10-23-16/h4,6-8,10-11,13H,3,5,9H2,1-2H3/t13-/m1/s1
InChIKeyCXYJGWTVSQUDDA-CYBMUJFWSA-N
XLogP4.62
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 46823064
2-[(1S)-1-[5-(4-methylphenyl)tetrazol-2-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 95146280
2-[(1S)-1-[(3S)-3-methylpiperidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 95156130
(2R,6S)-2,6-dimethyl-4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
CID 98684296
2-thiophen-2-yl-5-[(1R)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-1,3,4-oxadiazole
CID 9042773
2-[(1S)-1-[(4S)-4-propylazepan-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 97027423
(2R)-1-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-2-ol
CID 95312496
(2S)-1-[4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-2-ol
CID 95312493
2-methyl-6-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 95781790
4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-2-one
CID 9043036
1-[1-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]pyrrolidin-3-yl]ethanol
CID 110019750
1-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperidine-4-carboxamide
CID 9034758

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(1R)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 41041689) is 2-[(1R)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(1R)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(1R)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole is Cc1ccc2c(c1)CCCN2[C@H](C)c1nnc(-c2cccs2)o1.
What is the InChIKey of 2-[(1R)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is CXYJGWTVSQUDDA-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-12-7-8-15-14(11-12)5-3-9-21(15)13(2)17-19-20-18(22-17)16-6-4-10-23-16/h4,6-8,10-11,13H,3,5,9H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-[(1R)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
2-[(1R)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 325.44 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 41041689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).