[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone

C20H23FN2O3 — CID 139004488

IUPAC[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone
SMILESCc1onc(-c2ccc(F)cc2)c1C(=O)N1CCOC2(CCCCC2)C1
InChIInChI=1S/C20H23FN2O3/c1-14-17(18(22-26-14)15-5-7-16(21)8-6-15)19(24)23-11-12-25-20(13-23)9-3-2-4-10-20/h5-8H,2-4,9-13H2,1H3
InChIKeyVQDMLKODWFRTQA-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.96
Rot. Bonds2

About [3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone

[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone (PubChem CID 139004488) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone
PubChem CID139004488
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone
SMILESCc1onc(-c2ccc(F)cc2)c1C(=O)N1CCOC2(CCCCC2)C1
InChIInChI=1S/C20H23FN2O3/c1-14-17(18(22-26-14)15-5-7-16(21)8-6-15)19(24)23-11-12-25-20(13-23)9-3-2-4-10-20/h5-8H,2-4,9-13H2,1H3
InChIKeyVQDMLKODWFRTQA-UHFFFAOYSA-N
XLogP3.96
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 39139703
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 56872743
(4-methyl-1H-pyrazol-5-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone
CID 122159663
2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-(1-oxa-4-azaspiro[5.5]undecan-4-yl)ethanone
CID 126771577
5-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)thiophene-2-carboxylic acid
CID 120695829
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 55605219
6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenylpyrimidin-5-yl)methanone
CID 71968472
[4-(1-hydroxycyclopropyl)piperidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 138806639
5-(4-fluorophenyl)-5-methyl-3-[2-(1-oxa-4-azaspiro[5.5]undecan-4-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 139004489
6-oxa-9-azaspiro[4.5]decan-9-yl(pyridin-3-yl)methanone
CID 97232335
1-[4-[3-(4-fluorophenyl)-5-(1-hydroxyethyl)-1,2-oxazole-4-carbonyl]piperazin-1-yl]ethanone
CID 162913152
[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 95722292

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone?
The IUPAC name of [3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone (CID 139004488) is [3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone?
The canonical SMILES for [3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone is Cc1onc(-c2ccc(F)cc2)c1C(=O)N1CCOC2(CCCCC2)C1.
What is the InChIKey of [3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone?
The InChIKey is VQDMLKODWFRTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-14-17(18(22-26-14)15-5-7-16(21)8-6-15)19(24)23-11-12-25-20(13-23)9-3-2-4-10-20/h5-8H,2-4,9-13H2,1H3.
What are the key properties of [3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone?
[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone has a molecular weight of 358.41 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone is sourced from PubChem (CID 139004488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).