2-phenoxy-1-[10-(1,3-thiazol-5-ylmethyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-4-yl]ethanone

C19H23N3O4S — CID 171318576

IUPAC2-phenoxy-1-[10-(1,3-thiazol-5-ylmethyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-4-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCOC2(CN(Cc3cncs3)CCO2)C1
InChIInChI=1S/C19H23N3O4S/c23-18(12-24-16-4-2-1-3-5-16)22-7-9-26-19(14-22)13-21(6-8-25-19)11-17-10-20-15-27-17/h1-5,10,15H,6-9,11-14H2
InChIKeyGJYQLDPSTFGYOC-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.61
Rot. Bonds5

About 2-phenoxy-1-[10-(1,3-thiazol-5-ylmethyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-4-yl]ethanone

2-phenoxy-1-[10-(1,3-thiazol-5-ylmethyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-4-yl]ethanone (PubChem CID 171318576) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-phenoxy-1-[10-(1,3-thiazol-5-ylmethyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-4-yl]ethanone.

Molecular Properties

Compound Name2-phenoxy-1-[10-(1,3-thiazol-5-ylmethyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-4-yl]ethanone
PubChem CID171318576
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name2-phenoxy-1-[10-(1,3-thiazol-5-ylmethyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-4-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCOC2(CN(Cc3cncs3)CCO2)C1
InChIInChI=1S/C19H23N3O4S/c23-18(12-24-16-4-2-1-3-5-16)22-7-9-26-19(14-22)13-21(6-8-25-19)11-17-10-20-15-27-17/h1-5,10,15H,6-9,11-14H2
InChIKeyGJYQLDPSTFGYOC-UHFFFAOYSA-N
XLogP1.61
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[10-[(1-methylpyrazol-3-yl)methyl]-1,7-dioxa-4,10-diazaspiro[5.5]undecan-4-yl]-2-phenoxyethanone
CID 171318436
(1-methylpyrazol-4-yl)-[10-(1,3-thiazol-5-ylmethyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-4-yl]methanone
CID 171318422
10-(2-phenoxyacetyl)-N-pyridin-3-yl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide
CID 171318573
10-(2-phenoxyacetyl)-N-phenyl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide
CID 171318572
(4-methyl-1,3-oxazol-5-yl)-[8-(1,3-thiazol-5-ylmethyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 172884509
2-(3,5-dimethylphenoxy)-1-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone
CID 75518435
1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone
CID 132770875
1-[2-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone
CID 132770873
3-(hydroxymethyl)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol
CID 130700479
1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 155983602
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
(2S)-4-(2-phenoxyacetyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
CID 92575352

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-[10-(1,3-thiazol-5-ylmethyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-4-yl]ethanone?
The IUPAC name of 2-phenoxy-1-[10-(1,3-thiazol-5-ylmethyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-4-yl]ethanone (CID 171318576) is 2-phenoxy-1-[10-(1,3-thiazol-5-ylmethyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-4-yl]ethanone.
What is the SMILES notation for 2-phenoxy-1-[10-(1,3-thiazol-5-ylmethyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-4-yl]ethanone?
The canonical SMILES for 2-phenoxy-1-[10-(1,3-thiazol-5-ylmethyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-4-yl]ethanone is O=C(COc1ccccc1)N1CCOC2(CN(Cc3cncs3)CCO2)C1.
What is the InChIKey of 2-phenoxy-1-[10-(1,3-thiazol-5-ylmethyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-4-yl]ethanone?
The InChIKey is GJYQLDPSTFGYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c23-18(12-24-16-4-2-1-3-5-16)22-7-9-26-19(14-22)13-21(6-8-25-19)11-17-10-20-15-27-17/h1-5,10,15H,6-9,11-14H2.
What are the key properties of 2-phenoxy-1-[10-(1,3-thiazol-5-ylmethyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-4-yl]ethanone?
2-phenoxy-1-[10-(1,3-thiazol-5-ylmethyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-4-yl]ethanone has a molecular weight of 389.48 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-[10-(1,3-thiazol-5-ylmethyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-4-yl]ethanone is sourced from PubChem (CID 171318576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).