[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-(1,3-oxazol-5-yl)methanone

C18H20FN3O6S — CID 172884734

IUPAC[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-(1,3-oxazol-5-yl)methanone
SMILESO=C(c1cnco1)N1CCCOC2(C1)CN(S(=O)(=O)c1ccccc1F)CCO2
InChIInChI=1S/C18H20FN3O6S/c19-14-4-1-2-5-16(14)29(24,25)22-7-9-28-18(12-22)11-21(6-3-8-27-18)17(23)15-10-20-13-26-15/h1-2,4-5,10,13H,3,6-9,11-12H2
InChIKeyGXQAROBFVWCEKK-UHFFFAOYSA-N
MW425.44 g/mol
LogP1.09
Rot. Bonds3

About [4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-(1,3-oxazol-5-yl)methanone

[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-(1,3-oxazol-5-yl)methanone (PubChem CID 172884734) has the molecular formula C18H20FN3O6S and a molecular weight of 425.44 g/mol. Its IUPAC name is [4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-(1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-(1,3-oxazol-5-yl)methanone
PubChem CID172884734
Molecular FormulaC18H20FN3O6S
Molecular Weight425.44 g/mol
Exact Mass425.11
IUPAC Name[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-(1,3-oxazol-5-yl)methanone
SMILESO=C(c1cnco1)N1CCCOC2(C1)CN(S(=O)(=O)c1ccccc1F)CCO2
InChIInChI=1S/C18H20FN3O6S/c19-14-4-1-2-5-16(14)29(24,25)22-7-9-28-18(12-22)11-21(6-3-8-27-18)17(23)15-10-20-13-26-15/h1-2,4-5,10,13H,3,6-9,11-12H2
InChIKeyGXQAROBFVWCEKK-UHFFFAOYSA-N
XLogP1.09
TPSA102.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

cyclopropyl-[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]methanone
CID 172884724
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]methanone
CID 172884720
N-(2,4-difluorophenyl)-8-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide
CID 172884458
(2-methyl-1,3-thiazol-4-yl)-(4-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl)methanone
CID 172884491
(3S)-3-fluoro-1-(2-fluorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 164630245
N-(3,4-difluorophenyl)-4-(2-fluorobenzoyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide
CID 172884644
4-N-(2-fluorophenyl)-8-N-(4-fluorophenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide
CID 172884801
(8-methyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-3-ylmethanone
CID 172884571
[8-[(3-fluoro-4-pyridinyl)methyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-3-ylmethanone
CID 172884578
(2,2-dichlorocyclopropyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 78780160
4-(2,2-dimethylmorpholin-4-yl)sulfonyl-3-fluorobenzoic acid
CID 79177245
1-(azepan-1-yl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone
CID 8749372

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-(1,3-oxazol-5-yl)methanone?
The IUPAC name of [4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-(1,3-oxazol-5-yl)methanone (CID 172884734) is [4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-(1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-(1,3-oxazol-5-yl)methanone?
The canonical SMILES for [4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-(1,3-oxazol-5-yl)methanone is O=C(c1cnco1)N1CCCOC2(C1)CN(S(=O)(=O)c1ccccc1F)CCO2.
What is the InChIKey of [4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-(1,3-oxazol-5-yl)methanone?
The InChIKey is GXQAROBFVWCEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O6S/c19-14-4-1-2-5-16(14)29(24,25)22-7-9-28-18(12-22)11-21(6-3-8-27-18)17(23)15-10-20-13-26-15/h1-2,4-5,10,13H,3,6-9,11-12H2.
What are the key properties of [4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-(1,3-oxazol-5-yl)methanone?
[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-(1,3-oxazol-5-yl)methanone has a molecular weight of 425.44 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-(1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 172884734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).