[2-(4-fluorophenyl)triazol-4-yl]-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone

C17H20FN5O2 — CID 167800534

IUPAC[2-(4-fluorophenyl)triazol-4-yl]-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESO=C(c1cnn(-c2ccc(F)cc2)n1)N1CCC2(CC1)CNCCO2
InChIInChI=1S/C17H20FN5O2/c18-13-1-3-14(4-2-13)23-20-11-15(21-23)16(24)22-8-5-17(6-9-22)12-19-7-10-25-17/h1-4,11,19H,5-10,12H2
InChIKeyJKWKYHKUUVXZLK-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.00
Rot. Bonds2

About [2-(4-fluorophenyl)triazol-4-yl]-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone

[2-(4-fluorophenyl)triazol-4-yl]-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone (PubChem CID 167800534) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is [2-(4-fluorophenyl)triazol-4-yl]-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)triazol-4-yl]-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
PubChem CID167800534
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC Name[2-(4-fluorophenyl)triazol-4-yl]-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESO=C(c1cnn(-c2ccc(F)cc2)n1)N1CCC2(CC1)CNCCO2
InChIInChI=1S/C17H20FN5O2/c18-13-1-3-14(4-2-13)23-20-11-15(21-23)16(24)22-8-5-17(6-9-22)12-19-7-10-25-17/h1-4,11,19H,5-10,12H2
InChIKeyJKWKYHKUUVXZLK-UHFFFAOYSA-N
XLogP1.00
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(4-fluorophenyl)triazol-4-yl]-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone with MolForge

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Related Compounds

[2-(4-fluorophenyl)triazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 111435926
1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(phenyl)methanone;hydrochloride
CID 155832204
(5,5-dioxo-1,5,2-oxathiazepan-2-yl)-[2-(4-fluorophenyl)triazol-4-yl]methanone
CID 155955331
[2-(4-fluorophenyl)triazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111435990
(4-methylphenyl)-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 97449214
1,4-diazepan-1-yl-(2-phenyltriazol-4-yl)methanone
CID 28774472
[2-(4-fluorophenyl)morpholin-4-yl]-(2-phenyltriazol-4-yl)methanone
CID 134044299
2-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]triazole-4-carboxamide
CID 111485653
2-(4-fluorophenyl)-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide
CID 119447017
(3S)-3-methyl-1-(2-phenyltriazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 125133768
1-[2-(4-fluorophenyl)triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 159692507
2-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide
CID 90047217

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)triazol-4-yl]-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of [2-(4-fluorophenyl)triazol-4-yl]-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone (CID 167800534) is [2-(4-fluorophenyl)triazol-4-yl]-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for [2-(4-fluorophenyl)triazol-4-yl]-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for [2-(4-fluorophenyl)triazol-4-yl]-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone is O=C(c1cnn(-c2ccc(F)cc2)n1)N1CCC2(CC1)CNCCO2.
What is the InChIKey of [2-(4-fluorophenyl)triazol-4-yl]-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is JKWKYHKUUVXZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2/c18-13-1-3-14(4-2-13)23-20-11-15(21-23)16(24)22-8-5-17(6-9-22)12-19-7-10-25-17/h1-4,11,19H,5-10,12H2.
What are the key properties of [2-(4-fluorophenyl)triazol-4-yl]-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone?
[2-(4-fluorophenyl)triazol-4-yl]-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 345.38 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)triazol-4-yl]-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 167800534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).