4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-(4-fluorophenyl)-1,3-oxazole;hydrochloride

C19H25ClFN3O — CID 119933371

IUPAC4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-(4-fluorophenyl)-1,3-oxazole;hydrochloride
SMILESCl.Fc1ccc(-c2nc(CN3CCNCC34CCCCC4)co2)cc1
InChIInChI=1S/C19H24FN3O.ClH/c20-16-6-4-15(5-7-16)18-22-17(13-24-18)12-23-11-10-21-14-19(23)8-2-1-3-9-19;/h4-7,13,21H,1-3,8-12,14H2;1H
InChIKeyONSKJHRDTQVAAO-UHFFFAOYSA-N
MW365.88 g/mol
LogP4.01
Rot. Bonds3

About 4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-(4-fluorophenyl)-1,3-oxazole;hydrochloride

4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-(4-fluorophenyl)-1,3-oxazole;hydrochloride (PubChem CID 119933371) has the molecular formula C19H25ClFN3O and a molecular weight of 365.88 g/mol. Its IUPAC name is 4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-(4-fluorophenyl)-1,3-oxazole;hydrochloride.

Molecular Properties

Compound Name4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-(4-fluorophenyl)-1,3-oxazole;hydrochloride
PubChem CID119933371
Molecular FormulaC19H25ClFN3O
Molecular Weight365.88 g/mol
Exact Mass365.17
IUPAC Name4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-(4-fluorophenyl)-1,3-oxazole;hydrochloride
SMILESCl.Fc1ccc(-c2nc(CN3CCNCC34CCCCC4)co2)cc1
InChIInChI=1S/C19H24FN3O.ClH/c20-16-6-4-15(5-7-16)18-22-17(13-24-18)12-23-11-10-21-14-19(23)8-2-1-3-9-19;/h4-7,13,21H,1-3,8-12,14H2;1H
InChIKeyONSKJHRDTQVAAO-UHFFFAOYSA-N
XLogP4.01
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-thiophen-2-yl-1,3-oxazole
CID 119933366
4-[(2,2-dimethylpiperazin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole
CID 65462999
1-[(6-methoxy-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64845816
1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol
CID 115873830
5-(1,7-diazaspiro[4.4]nonan-1-ylmethyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 136570099
6-(quinolin-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64845221
2-(4-fluorophenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride
CID 120870762
1-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane;hydrochloride
CID 119933531
1-[(4-chloro-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 79256208
4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;dihydrochloride
CID 119933287
1-[(5-chloro-2-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 114857928
2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 119933495

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-(4-fluorophenyl)-1,3-oxazole;hydrochloride?
The IUPAC name of 4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-(4-fluorophenyl)-1,3-oxazole;hydrochloride (CID 119933371) is 4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-(4-fluorophenyl)-1,3-oxazole;hydrochloride.
What is the SMILES notation for 4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-(4-fluorophenyl)-1,3-oxazole;hydrochloride?
The canonical SMILES for 4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-(4-fluorophenyl)-1,3-oxazole;hydrochloride is Cl.Fc1ccc(-c2nc(CN3CCNCC34CCCCC4)co2)cc1.
What is the InChIKey of 4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-(4-fluorophenyl)-1,3-oxazole;hydrochloride?
The InChIKey is ONSKJHRDTQVAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O.ClH/c20-16-6-4-15(5-7-16)18-22-17(13-24-18)12-23-11-10-21-14-19(23)8-2-1-3-9-19;/h4-7,13,21H,1-3,8-12,14H2;1H.
What are the key properties of 4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-(4-fluorophenyl)-1,3-oxazole;hydrochloride?
4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-(4-fluorophenyl)-1,3-oxazole;hydrochloride has a molecular weight of 365.88 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-2-(4-fluorophenyl)-1,3-oxazole;hydrochloride is sourced from PubChem (CID 119933371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).