4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(1,3-thiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane

C17H24N4O2S — CID 118739726

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(1,3-thiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCc1noc(C)c1CN1CCOC2(CCCN(c3nccs3)C2)C1
InChIInChI=1S/C17H24N4O2S/c1-13-15(14(2)23-19-13)10-20-7-8-22-17(11-20)4-3-6-21(12-17)16-18-5-9-24-16/h5,9H,3-4,6-8,10-12H2,1-2H3
InChIKeyAWZAJYBXSOHDFV-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.62
Rot. Bonds3

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(1,3-thiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(1,3-thiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 118739726) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(1,3-thiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(1,3-thiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID118739726
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(1,3-thiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCc1noc(C)c1CN1CCOC2(CCCN(c3nccs3)C2)C1
InChIInChI=1S/C17H24N4O2S/c1-13-15(14(2)23-19-13)10-20-7-8-22-17(11-20)4-3-6-21(12-17)16-18-5-9-24-16/h5,9H,3-4,6-8,10-12H2,1-2H3
InChIKeyAWZAJYBXSOHDFV-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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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(1,3-thiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(1,3-thiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane (CID 118739726) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(1,3-thiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(1,3-thiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(1,3-thiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane is Cc1noc(C)c1CN1CCOC2(CCCN(c3nccs3)C2)C1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(1,3-thiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is AWZAJYBXSOHDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-13-15(14(2)23-19-13)10-20-7-8-22-17(11-20)4-3-6-21(12-17)16-18-5-9-24-16/h5,9H,3-4,6-8,10-12H2,1-2H3.
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(1,3-thiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(1,3-thiazol-2-yl)-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 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(1,3-thiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 118739726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).