1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(5-phenyl-1,2-oxazol-3-yl)cyclopropyl]methanone

C20H22N2O4 — CID 90503094

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(5-phenyl-1,2-oxazol-3-yl)cyclopropyl]methanone
SMILESO=C(N1CCC2(CC1)OCCO2)C1(c2cc(-c3ccccc3)on2)CC1
InChIInChI=1S/C20H22N2O4/c23-18(22-10-8-20(9-11-22)24-12-13-25-20)19(6-7-19)17-14-16(26-21-17)15-4-2-1-3-5-15/h1-5,14H,6-13H2
InChIKeyFFTDTKWXLFCTFB-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.74
Rot. Bonds3

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(5-phenyl-1,2-oxazol-3-yl)cyclopropyl]methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(5-phenyl-1,2-oxazol-3-yl)cyclopropyl]methanone (PubChem CID 90503094) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(5-phenyl-1,2-oxazol-3-yl)cyclopropyl]methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(5-phenyl-1,2-oxazol-3-yl)cyclopropyl]methanone
PubChem CID90503094
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(5-phenyl-1,2-oxazol-3-yl)cyclopropyl]methanone
SMILESO=C(N1CCC2(CC1)OCCO2)C1(c2cc(-c3ccccc3)on2)CC1
InChIInChI=1S/C20H22N2O4/c23-18(22-10-8-20(9-11-22)24-12-13-25-20)19(6-7-19)17-14-16(26-21-17)15-4-2-1-3-5-15/h1-5,14H,6-13H2
InChIKeyFFTDTKWXLFCTFB-UHFFFAOYSA-N
XLogP2.74
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-cyclohexylpiperazin-1-yl)-[1-(5-phenyl-1,2-oxazol-3-yl)cyclopropyl]methanone
CID 90503309
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 90510455
azepan-1-yl-[1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
CID 90504286
1-[4-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 90503872
[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
CID 90503693
(4-benzylpiperazin-1-yl)-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
CID 90503696
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 110413122
(4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone
CID 90502501
[1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropyl]-(4-benzylpiperidin-1-yl)methanone
CID 90504581
1-[4-[4-[1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperazin-1-yl]phenyl]ethanone
CID 90504480
[1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-pyrrolidin-1-ylmethanone
CID 90503978
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 110316706

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(5-phenyl-1,2-oxazol-3-yl)cyclopropyl]methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(5-phenyl-1,2-oxazol-3-yl)cyclopropyl]methanone (CID 90503094) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(5-phenyl-1,2-oxazol-3-yl)cyclopropyl]methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(5-phenyl-1,2-oxazol-3-yl)cyclopropyl]methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(5-phenyl-1,2-oxazol-3-yl)cyclopropyl]methanone is O=C(N1CCC2(CC1)OCCO2)C1(c2cc(-c3ccccc3)on2)CC1.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(5-phenyl-1,2-oxazol-3-yl)cyclopropyl]methanone?
The InChIKey is FFTDTKWXLFCTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c23-18(22-10-8-20(9-11-22)24-12-13-25-20)19(6-7-19)17-14-16(26-21-17)15-4-2-1-3-5-15/h1-5,14H,6-13H2.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(5-phenyl-1,2-oxazol-3-yl)cyclopropyl]methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(5-phenyl-1,2-oxazol-3-yl)cyclopropyl]methanone has a molecular weight of 354.41 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(5-phenyl-1,2-oxazol-3-yl)cyclopropyl]methanone is sourced from PubChem (CID 90503094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).