1-[4-(methoxymethyl)-8-(4-methyl-1,3-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone

C17H25N3O4 — CID 91922122

IUPAC1-[4-(methoxymethyl)-8-(4-methyl-1,3-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCOCC1CN(C(C)=O)CC12CCN(C(=O)c1ocnc1C)CC2
InChIInChI=1S/C17H25N3O4/c1-12-15(24-11-18-12)16(22)19-6-4-17(5-7-19)10-20(13(2)21)8-14(17)9-23-3/h11,14H,4-10H2,1-3H3
InChIKeyURHMCHBXAJBDFX-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.33
Rot. Bonds3

About 1-[4-(methoxymethyl)-8-(4-methyl-1,3-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone

1-[4-(methoxymethyl)-8-(4-methyl-1,3-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 91922122) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-8-(4-methyl-1,3-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-8-(4-methyl-1,3-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
PubChem CID91922122
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name1-[4-(methoxymethyl)-8-(4-methyl-1,3-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCOCC1CN(C(C)=O)CC12CCN(C(=O)c1ocnc1C)CC2
InChIInChI=1S/C17H25N3O4/c1-12-15(24-11-18-12)16(22)19-6-4-17(5-7-19)10-20(13(2)21)8-14(17)9-23-3/h11,14H,4-10H2,1-3H3
InChIKeyURHMCHBXAJBDFX-UHFFFAOYSA-N
XLogP1.33
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-8-(4-methyl-1,3-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 1-[4-(methoxymethyl)-8-(4-methyl-1,3-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (CID 91922122) is 1-[4-(methoxymethyl)-8-(4-methyl-1,3-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 1-[4-(methoxymethyl)-8-(4-methyl-1,3-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 1-[4-(methoxymethyl)-8-(4-methyl-1,3-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is COCC1CN(C(C)=O)CC12CCN(C(=O)c1ocnc1C)CC2.
What is the InChIKey of 1-[4-(methoxymethyl)-8-(4-methyl-1,3-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is URHMCHBXAJBDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-12-15(24-11-18-12)16(22)19-6-4-17(5-7-19)10-20(13(2)21)8-14(17)9-23-3/h11,14H,4-10H2,1-3H3.
What are the key properties of 1-[4-(methoxymethyl)-8-(4-methyl-1,3-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
1-[4-(methoxymethyl)-8-(4-methyl-1,3-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 335.40 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-8-(4-methyl-1,3-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 91922122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).