1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane

C17H24N4O2S — CID 97396333

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCc1noc(C)c1CN1CCOCC12CCN(c1nccs1)CC2
InChIInChI=1S/C17H24N4O2S/c1-13-15(14(2)23-19-13)11-21-8-9-22-12-17(21)3-6-20(7-4-17)16-18-5-10-24-16/h5,10H,3-4,6-9,11-12H2,1-2H3
InChIKeyQOMGSDMYBATBTN-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.62
Rot. Bonds3

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane (PubChem CID 97396333) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane
PubChem CID97396333
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCc1noc(C)c1CN1CCOCC12CCN(c1nccs1)CC2
InChIInChI=1S/C17H24N4O2S/c1-13-15(14(2)23-19-13)11-21-8-9-22-12-17(21)3-6-20(7-4-17)16-18-5-10-24-16/h5,10H,3-4,6-9,11-12H2,1-2H3
InChIKeyQOMGSDMYBATBTN-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 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane (CID 97396333) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane is Cc1noc(C)c1CN1CCOCC12CCN(c1nccs1)CC2.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The InChIKey is QOMGSDMYBATBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-13-15(14(2)23-19-13)11-21-8-9-22-12-17(21)3-6-20(7-4-17)16-18-5-10-24-16/h5,10H,3-4,6-9,11-12H2,1-2H3.
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-(1,3-thiazol-2-yl)-4-oxa-1,9-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 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97396333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).