oxolan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone

C17H25N3O3S — CID 118741024

IUPACoxolan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESO=C(C1CCOC1)N1CCC2(CC1)CN(Cc1nccs1)CCO2
InChIInChI=1S/C17H25N3O3S/c21-16(14-1-8-22-12-14)20-5-2-17(3-6-20)13-19(7-9-23-17)11-15-18-4-10-24-15/h4,10,14H,1-3,5-9,11-13H2
InChIKeyXXWAPXSRDJRUSD-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.37
Rot. Bonds3

About oxolan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone

oxolan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone (PubChem CID 118741024) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is oxolan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Nameoxolan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
PubChem CID118741024
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Nameoxolan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESO=C(C1CCOC1)N1CCC2(CC1)CN(Cc1nccs1)CCO2
InChIInChI=1S/C17H25N3O3S/c21-16(14-1-8-22-12-14)20-5-2-17(3-6-20)13-19(7-9-23-17)11-15-18-4-10-24-15/h4,10,14H,1-3,5-9,11-13H2
InChIKeyXXWAPXSRDJRUSD-UHFFFAOYSA-N
XLogP1.37
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of oxolan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone (CID 118741024) is oxolan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for oxolan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for oxolan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone is O=C(C1CCOC1)N1CCC2(CC1)CN(Cc1nccs1)CCO2.
What is the InChIKey of oxolan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is XXWAPXSRDJRUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c21-16(14-1-8-22-12-14)20-5-2-17(3-6-20)13-19(7-9-23-17)11-15-18-4-10-24-15/h4,10,14H,1-3,5-9,11-13H2.
What are the key properties of oxolan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone?
oxolan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 351.47 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 118741024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).