[9-(5-fluoro-2-hydroxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(furan-3-yl)methanone

C20H21FN2O5 — CID 131952047

IUPAC[9-(5-fluoro-2-hydroxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCOC2(CCN(C(=O)c3cc(F)ccc3O)CC2)C1
InChIInChI=1S/C20H21FN2O5/c21-15-1-2-17(24)16(11-15)19(26)22-6-4-20(5-7-22)13-23(8-10-28-20)18(25)14-3-9-27-12-14/h1-3,9,11-12,24H,4-8,10,13H2
InChIKeyONSTYSMFUZACNJ-UHFFFAOYSA-N
MW388.40 g/mol
LogP2.27
Rot. Bonds2

About [9-(5-fluoro-2-hydroxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(furan-3-yl)methanone

[9-(5-fluoro-2-hydroxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(furan-3-yl)methanone (PubChem CID 131952047) has the molecular formula C20H21FN2O5 and a molecular weight of 388.40 g/mol. Its IUPAC name is [9-(5-fluoro-2-hydroxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[9-(5-fluoro-2-hydroxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(furan-3-yl)methanone
PubChem CID131952047
Molecular FormulaC20H21FN2O5
Molecular Weight388.40 g/mol
Exact Mass388.14
IUPAC Name[9-(5-fluoro-2-hydroxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCOC2(CCN(C(=O)c3cc(F)ccc3O)CC2)C1
InChIInChI=1S/C20H21FN2O5/c21-15-1-2-17(24)16(11-15)19(26)22-6-4-20(5-7-22)13-23(8-10-28-20)18(25)14-3-9-27-12-14/h1-3,9,11-12,24H,4-8,10,13H2
InChIKeyONSTYSMFUZACNJ-UHFFFAOYSA-N
XLogP2.27
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(furan-3-yl)methanone
CID 97451019
(4,4-diethylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299098
(5-fluoro-2-hydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 113281589
furan-3-yl-[4-(6-methylpyridazin-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 131903877
(2,5-difluorophenyl)-[1-(furan-3-carbonyl)piperidin-4-yl]methanone
CID 51082686
3-ethyl-1-(5-fluoro-2-hydroxybenzoyl)pyrrolidine-3-carboxylic acid
CID 115298513
furan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone;2,2,2-trifluoroacetic acid
CID 155824954
furan-3-yl-[(6R)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 97373146
1-[7-(furan-3-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone
CID 97472729
[4-(2,4-dichloro-5-fluorobenzoyl)piperazin-1-yl]-(furan-3-yl)methanone
CID 32532621
(4-chloro-2-hydroxyphenyl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 90648268
(4-chloropiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299535

Frequently Asked Questions

What is the IUPAC name of [9-(5-fluoro-2-hydroxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(furan-3-yl)methanone?
The IUPAC name of [9-(5-fluoro-2-hydroxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(furan-3-yl)methanone (CID 131952047) is [9-(5-fluoro-2-hydroxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [9-(5-fluoro-2-hydroxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(furan-3-yl)methanone?
The canonical SMILES for [9-(5-fluoro-2-hydroxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCOC2(CCN(C(=O)c3cc(F)ccc3O)CC2)C1.
What is the InChIKey of [9-(5-fluoro-2-hydroxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(furan-3-yl)methanone?
The InChIKey is ONSTYSMFUZACNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O5/c21-15-1-2-17(24)16(11-15)19(26)22-6-4-20(5-7-22)13-23(8-10-28-20)18(25)14-3-9-27-12-14/h1-3,9,11-12,24H,4-8,10,13H2.
What are the key properties of [9-(5-fluoro-2-hydroxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(furan-3-yl)methanone?
[9-(5-fluoro-2-hydroxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(furan-3-yl)methanone has a molecular weight of 388.40 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(5-fluoro-2-hydroxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 131952047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).