3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one

C18H28N2O4 — CID 70776664

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one
SMILESCCO[C@H]1C[C@@H](O)C12CCN(C(=O)CCc1c(C)noc1C)CC2
InChIInChI=1S/C18H28N2O4/c1-4-23-16-11-15(21)18(16)7-9-20(10-8-18)17(22)6-5-14-12(2)19-24-13(14)3/h15-16,21H,4-11H2,1-3H3/t15-,16+/m1/s1
InChIKeyISPULNDHFGKGSQ-CVEARBPZSA-N
MW336.43 g/mol
LogP2.00
Rot. Bonds5

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one (PubChem CID 70776664) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one
PubChem CID70776664
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one
SMILESCCO[C@H]1C[C@@H](O)C12CCN(C(=O)CCc1c(C)noc1C)CC2
InChIInChI=1S/C18H28N2O4/c1-4-23-16-11-15(21)18(16)7-9-20(10-8-18)17(22)6-5-14-12(2)19-24-13(14)3/h15-16,21H,4-11H2,1-3H3/t15-,16+/m1/s1
InChIKeyISPULNDHFGKGSQ-CVEARBPZSA-N
XLogP2.00
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pentan-1-one
CID 111456860
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one
CID 97210246
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-hydroxy-4-(hydroxymethyl)azepan-1-yl]propan-1-one
CID 56908437
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4S)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]propan-1-one
CID 95723108
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one
CID 74249946
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 121197474
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one
CID 110156686
[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 97100810
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 111456878
ethyl 4-[(2-chlorophenyl)methyl]-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]piperidine-4-carboxylate
CID 25308162
(1-aminocyclopentyl)-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 125119367
(1-aminocyclopentyl)-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 125119364

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one (CID 70776664) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one is CCO[C@H]1C[C@@H](O)C12CCN(C(=O)CCc1c(C)noc1C)CC2.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one?
The InChIKey is ISPULNDHFGKGSQ-CVEARBPZSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-4-23-16-11-15(21)18(16)7-9-20(10-8-18)17(22)6-5-14-12(2)19-24-13(14)3/h15-16,21H,4-11H2,1-3H3/t15-,16+/m1/s1.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one has a molecular weight of 336.43 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one is sourced from PubChem (CID 70776664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).