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

C14H17F3N2O3 — CID 122134871

IUPAC1-oxa-4-azaspiro[5.5]undecan-4-yl-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone
SMILESO=C(c1ncoc1C(F)(F)F)N1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H17F3N2O3/c15-14(16,17)11-10(18-9-21-11)12(20)19-6-7-22-13(8-19)4-2-1-3-5-13/h9H,1-8H2
InChIKeyOVDPFGSGZZBRRF-UHFFFAOYSA-N
MW318.30 g/mol
LogP2.87
Rot. Bonds1

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

1-oxa-4-azaspiro[5.5]undecan-4-yl-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone (PubChem CID 122134871) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.30 g/mol. Its IUPAC name is 1-oxa-4-azaspiro[5.5]undecan-4-yl-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name1-oxa-4-azaspiro[5.5]undecan-4-yl-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone
PubChem CID122134871
Molecular FormulaC14H17F3N2O3
Molecular Weight318.30 g/mol
Exact Mass318.12
IUPAC Name1-oxa-4-azaspiro[5.5]undecan-4-yl-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone
SMILESO=C(c1ncoc1C(F)(F)F)N1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H17F3N2O3/c15-14(16,17)11-10(18-9-21-11)12(20)19-6-7-22-13(8-19)4-2-1-3-5-13/h9H,1-8H2
InChIKeyOVDPFGSGZZBRRF-UHFFFAOYSA-N
XLogP2.87
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-Cyclohexyl-N-[2-(dimethylamino)ethyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 74234028
5-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1,3-oxazole-4-carboxamide
CID 125159360
N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 138035485
N-(3-ethoxy-2,2-diethylcyclobutyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 122153301
N-[(1R,3R)-3-ethoxy-2,2-diethylcyclobutyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 125535055
N-[(1S,3S)-3-ethoxy-2,2-diethylcyclobutyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 125535056
N-[(1S,3R)-3-ethoxy-2,2-diethylcyclobutyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 125535057
N-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 125535058
3-[1-[5-(Trifluoromethyl)-1,3-oxazole-4-carbonyl]piperidin-3-yl]propanoic acid
CID 126838973
N-[1-(5-methyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 128989542
N-[(3R,6R)-1-(5-methyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129491790
N-[(3S,6S)-1-(5-methyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129491791

Frequently Asked Questions

What is the IUPAC name of 1-oxa-4-azaspiro[5.5]undecan-4-yl-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone?
The IUPAC name of 1-oxa-4-azaspiro[5.5]undecan-4-yl-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone (CID 122134871) is 1-oxa-4-azaspiro[5.5]undecan-4-yl-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for 1-oxa-4-azaspiro[5.5]undecan-4-yl-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone?
The canonical SMILES for 1-oxa-4-azaspiro[5.5]undecan-4-yl-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone is O=C(c1ncoc1C(F)(F)F)N1CCOC2(CCCCC2)C1.
What is the InChIKey of 1-oxa-4-azaspiro[5.5]undecan-4-yl-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone?
The InChIKey is OVDPFGSGZZBRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c15-14(16,17)11-10(18-9-21-11)12(20)19-6-7-22-13(8-19)4-2-1-3-5-13/h9H,1-8H2.
What are the key properties of 1-oxa-4-azaspiro[5.5]undecan-4-yl-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone?
1-oxa-4-azaspiro[5.5]undecan-4-yl-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone has a molecular weight of 318.30 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-4-azaspiro[5.5]undecan-4-yl-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 122134871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).