8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane

C17H24N4O2S — CID 118746429

IUPAC8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCc1nnc(N2CCCC3(CN(Cc4ccc(C)s4)CCO3)C2)o1
InChIInChI=1S/C17H24N4O2S/c1-13-4-5-15(24-13)10-20-8-9-22-17(11-20)6-3-7-21(12-17)16-19-18-14(2)23-16/h4-5H,3,6-12H2,1-2H3
InChIKeyKQNUAYPANPMEKE-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.62
Rot. Bonds3

About 8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane

8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 118746429) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID118746429
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCc1nnc(N2CCCC3(CN(Cc4ccc(C)s4)CCO3)C2)o1
InChIInChI=1S/C17H24N4O2S/c1-13-4-5-15(24-13)10-20-8-9-22-17(11-20)6-3-7-21(12-17)16-19-18-14(2)23-16/h4-5H,3,6-12H2,1-2H3
InChIKeyKQNUAYPANPMEKE-UHFFFAOYSA-N
XLogP2.62
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

8-(6-methylpyridazin-3-yl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131660482
(6R)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372480
(6R)-4-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492189
(6S)-8-(3-fluorophenyl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372362
1-[(6R)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 97372389
4-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 171672882
2-hydroxy-1-[(6R)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
CID 97492493
2-hydroxy-1-[8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
CID 131648895
8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxa-8-azaspiro[3.5]nonane
CID 127705250
(6S)-4-[(5-methylthiophen-2-yl)methyl]-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97495057
[(6S)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[(2R)-oxolan-2-yl]methanone
CID 97492362
8-(1,3,4-thiadiazol-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131645665

Frequently Asked Questions

What is the IUPAC name of 8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of 8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane (CID 118746429) is 8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for 8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane is Cc1nnc(N2CCCC3(CN(Cc4ccc(C)s4)CCO3)C2)o1.
What is the InChIKey of 8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is KQNUAYPANPMEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-13-4-5-15(24-13)10-20-8-9-22-17(11-20)6-3-7-21(12-17)16-19-18-14(2)23-16/h4-5H,3,6-12H2,1-2H3.
What are the key properties of 8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane?
8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane has a molecular weight of 348.47 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 118746429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).