1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone

C19H21FN2O4 — CID 110413016

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
SMILESCc1oc(-c2cccc(F)c2)nc1CC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H21FN2O4/c1-13-16(21-18(26-13)14-3-2-4-15(20)11-14)12-17(23)22-7-5-19(6-8-22)24-9-10-25-19/h2-4,11H,5-10,12H2,1H3
InChIKeyNMEZPDIQQFYHRN-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.70
Rot. Bonds3

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone (PubChem CID 110413016) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
PubChem CID110413016
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
SMILESCc1oc(-c2cccc(F)c2)nc1CC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H21FN2O4/c1-13-16(21-18(26-13)14-3-2-4-15(20)11-14)12-17(23)22-7-5-19(6-8-22)24-9-10-25-19/h2-4,11H,5-10,12H2,1H3
InChIKeyNMEZPDIQQFYHRN-UHFFFAOYSA-N
XLogP2.70
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 36708636
1-(4-acetylpiperazin-1-yl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
CID 110355555
2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 110427369
2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 110371744
1-(4-aminopiperidin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 119374953
N-(4-acetamidobutyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110417936
4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperazine-1-carbaldehyde
CID 110371629
1-[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-4-carboxamide
CID 110673679
2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)-1-pyrrolidin-1-ylethanone
CID 110371859
2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylmorpholin-4-yl)ethanone
CID 110631395
9-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 56868396
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 112994183

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone (CID 110413016) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone is Cc1oc(-c2cccc(F)c2)nc1CC(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone?
The InChIKey is NMEZPDIQQFYHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-13-16(21-18(26-13)14-3-2-4-15(20)11-14)12-17(23)22-7-5-19(6-8-22)24-9-10-25-19/h2-4,11H,5-10,12H2,1H3.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone has a molecular weight of 360.39 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone is sourced from PubChem (CID 110413016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).