5-cyclopropyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazole

C14H15N3O — CID 127869209

IUPAC5-cyclopropyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazole
SMILESc1cc2c(nc1-c1noc(C3CC3)n1)CCCC2
InChIInChI=1S/C14H15N3O/c1-2-4-11-9(3-1)7-8-12(15-11)13-16-14(18-17-13)10-5-6-10/h7-8,10H,1-6H2
InChIKeyXYOFAQWTTSAEHL-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.89
Rot. Bonds2

About 5-cyclopropyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazole

5-cyclopropyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazole (PubChem CID 127869209) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-cyclopropyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazole
PubChem CID127869209
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name5-cyclopropyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazole
SMILESc1cc2c(nc1-c1noc(C3CC3)n1)CCCC2
InChIInChI=1S/C14H15N3O/c1-2-4-11-9(3-1)7-8-12(15-11)13-16-14(18-17-13)10-5-6-10/h7-8,10H,1-6H2
InChIKeyXYOFAQWTTSAEHL-UHFFFAOYSA-N
XLogP2.89
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-pyrrolidin-2-yl]-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 167901383
5-(4-cyclopropyl-3-fluoropyrrolidin-3-yl)-3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazole
CID 167795714
3-(6-bromo-5-methoxy-2-pyridinyl)-5-cyclobutyl-1,2,4-oxadiazole
CID 136561315
4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 103375309
N-methyl-4-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 115531494
5-(4-ethylcyclohexyl)-3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazole
CID 171503811
ethane;[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 171503859
5-cyclopropyl-3-(1H-pyrrol-2-yl)-1,2,4-oxadiazole
CID 141133927
5-cyclopentyl-3-(5-pyridin-2-yl-2-pyridinyl)-1,2,4-oxadiazole
CID 71088340
cis-(1S,3R)-3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323669
4-(5,6,7,8-tetrahydroquinolin-2-yl)aniline
CID 57154920
(5S)-5-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97147233

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazole (CID 127869209) is 5-cyclopropyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazole is c1cc2c(nc1-c1noc(C3CC3)n1)CCCC2.
What is the InChIKey of 5-cyclopropyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazole?
The InChIKey is XYOFAQWTTSAEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-2-4-11-9(3-1)7-8-12(15-11)13-16-14(18-17-13)10-5-6-10/h7-8,10H,1-6H2.
What are the key properties of 5-cyclopropyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazole?
5-cyclopropyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazole has a molecular weight of 241.29 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 127869209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).