1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(5S)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone

C17H20N2O5 — CID 1302315

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(5S)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
SMILESO=C([C@@H]1CC(c2ccccc2O)=NO1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C17H20N2O5/c20-14-4-2-1-3-12(14)13-11-15(24-18-13)16(21)19-7-5-17(6-8-19)22-9-10-23-17/h1-4,15,20H,5-11H2/t15-/m0/s1
InChIKeyREUUOPKFHTYDCV-HNNXBMFYSA-N
MW332.36 g/mol
LogP1.25
Rot. Bonds2

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

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(5S)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone (PubChem CID 1302315) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(5S)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(5S)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
PubChem CID1302315
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(5S)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
SMILESO=C([C@@H]1CC(c2ccccc2O)=NO1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C17H20N2O5/c20-14-4-2-1-3-12(14)13-11-15(24-18-13)16(21)19-7-5-17(6-8-19)22-9-10-23-17/h1-4,15,20H,5-11H2/t15-/m0/s1
InChIKeyREUUOPKFHTYDCV-HNNXBMFYSA-N
XLogP1.25
TPSA80.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(5S)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone with MolForge

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Related Compounds

[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 135881511
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 3244043
[(5R)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
CID 40638458
[(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
CID 40638457
3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydro-2H-naphthalen-1-one
CID 110677758
[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 42816767
[(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
CID 92734591
azetidin-1-yl-[3-(2-nitrophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 75484338
1-[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide
CID 3158090
[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 17095718
(5R)-3-(2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 135829519
N-(1-tert-butylpyrazol-4-yl)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide;hydrochloride
CID 136962136

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(5S)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(5S)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone (CID 1302315) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(5S)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(5S)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(5S)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone is O=C([C@@H]1CC(c2ccccc2O)=NO1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(5S)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The InChIKey is REUUOPKFHTYDCV-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N2O5/c20-14-4-2-1-3-12(14)13-11-15(24-18-13)16(21)19-7-5-17(6-8-19)22-9-10-23-17/h1-4,15,20H,5-11H2/t15-/m0/s1.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(5S)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(5S)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone has a molecular weight of 332.36 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(5S)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 1302315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).