1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propan-1-one

C20H24N2O4 — CID 71839819

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propan-1-one
SMILESCc1cccc(-c2nocc2CCC(=O)N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C20H24N2O4/c1-15-3-2-4-16(13-15)19-17(14-26-21-19)5-6-18(23)22-9-7-20(8-10-22)24-11-12-25-20/h2-4,13-14H,5-12H2,1H3
InChIKeyQBLRZJOBVABDSD-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.95
Rot. Bonds4

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propan-1-one

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propan-1-one (PubChem CID 71839819) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propan-1-one.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propan-1-one
PubChem CID71839819
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propan-1-one
SMILESCc1cccc(-c2nocc2CCC(=O)N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C20H24N2O4/c1-15-3-2-4-16(13-15)19-17(14-26-21-19)5-6-18(23)22-9-7-20(8-10-22)24-11-12-25-20/h2-4,13-14H,5-12H2,1H3
InChIKeyQBLRZJOBVABDSD-UHFFFAOYSA-N
XLogP2.95
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-phenyl-1,2-oxazol-4-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 71839862
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 43057713
N-[(2,5-dimethylphenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide
CID 71839791
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-ethoxyphenyl)propan-1-one
CID 134060202
3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylpropan-1-one
CID 110333431
N-[(4-chlorophenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide
CID 71839812
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methylphenyl)prop-2-en-1-one
CID 71898426
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(3-phenyl-1,2-oxazol-4-yl)propan-1-one
CID 71839863
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-(3-methylphenyl)propan-1-one
CID 103727453
3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 110333425
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propan-1-one
CID 20899868
3-methyl-8-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 46978257

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propan-1-one?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propan-1-one (CID 71839819) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propan-1-one.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propan-1-one?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propan-1-one is Cc1cccc(-c2nocc2CCC(=O)N2CCC3(CC2)OCCO3)c1.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propan-1-one?
The InChIKey is QBLRZJOBVABDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-15-3-2-4-16(13-15)19-17(14-26-21-19)5-6-18(23)22-9-7-20(8-10-22)24-11-12-25-20/h2-4,13-14H,5-12H2,1H3.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propan-1-one?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propan-1-one has a molecular weight of 356.42 g/mol, XLogP of 2.95, 4 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)-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propan-1-one is sourced from PubChem (CID 71839819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).