5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(oxolan-3-ylmethyl)-1,2,4-oxadiazole

C16H25N3O2 — CID 103985711

IUPAC5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(oxolan-3-ylmethyl)-1,2,4-oxadiazole
SMILESC1CCC2NC(c3nc(CC4CCOC4)no3)CCC2C1
InChIInChI=1S/C16H25N3O2/c1-2-4-13-12(3-1)5-6-14(17-13)16-18-15(19-21-16)9-11-7-8-20-10-11/h11-14,17H,1-10H2
InChIKeyUHFGXWAUJZKWPN-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.63
Rot. Bonds3

About 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(oxolan-3-ylmethyl)-1,2,4-oxadiazole

5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(oxolan-3-ylmethyl)-1,2,4-oxadiazole (PubChem CID 103985711) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(oxolan-3-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(oxolan-3-ylmethyl)-1,2,4-oxadiazole
PubChem CID103985711
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(oxolan-3-ylmethyl)-1,2,4-oxadiazole
SMILESC1CCC2NC(c3nc(CC4CCOC4)no3)CCC2C1
InChIInChI=1S/C16H25N3O2/c1-2-4-13-12(3-1)5-6-14(17-13)16-18-15(19-21-16)9-11-7-8-20-10-11/h11-14,17H,1-10H2
InChIKeyUHFGXWAUJZKWPN-UHFFFAOYSA-N
XLogP2.63
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(oxolan-3-ylmethyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 66470286
2-[5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylethanamine
CID 115345462
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-(oxolan-3-ylmethyl)-1,2,4-oxadiazole
CID 102894798
(3R,5S)-5-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911481
5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 82008289
4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 103985680
3-(oxan-3-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 115080678
3-(oxolan-3-ylmethyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 103987943
5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-3-butyl-1,2,4-oxadiazole
CID 79404883
5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 61392856
ethyl 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-1,2,4-oxadiazole-3-carboxylate
CID 115970564
5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790727

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(oxolan-3-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(oxolan-3-ylmethyl)-1,2,4-oxadiazole (CID 103985711) is 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(oxolan-3-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(oxolan-3-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(oxolan-3-ylmethyl)-1,2,4-oxadiazole is C1CCC2NC(c3nc(CC4CCOC4)no3)CCC2C1.
What is the InChIKey of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(oxolan-3-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is UHFGXWAUJZKWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-4-13-12(3-1)5-6-14(17-13)16-18-15(19-21-16)9-11-7-8-20-10-11/h11-14,17H,1-10H2.
What are the key properties of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(oxolan-3-ylmethyl)-1,2,4-oxadiazole?
5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(oxolan-3-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 291.39 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(oxolan-3-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 103985711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).