2-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

C18H25N3O4 — CID 72850378

IUPAC2-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(C(=O)c3ncoc3C3CC3)C2)C1=O
InChIInChI=1S/C18H25N3O4/c1-24-10-9-20-7-2-5-18(17(20)23)6-8-21(11-18)16(22)14-15(13-3-4-13)25-12-19-14/h12-13H,2-11H2,1H3
InChIKeyJTZUYWDPALRYSP-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.65
Rot. Bonds5

About 2-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

2-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72850378) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72850378
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name2-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(C(=O)c3ncoc3C3CC3)C2)C1=O
InChIInChI=1S/C18H25N3O4/c1-24-10-9-20-7-2-5-18(17(20)23)6-8-21(11-18)16(22)14-15(13-3-4-13)25-12-19-14/h12-13H,2-11H2,1H3
InChIKeyJTZUYWDPALRYSP-UHFFFAOYSA-N
XLogP1.65
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72850378) is 2-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is COCCN1CCCC2(CCN(C(=O)c3ncoc3C3CC3)C2)C1=O.
What is the InChIKey of 2-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is JTZUYWDPALRYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-24-10-9-20-7-2-5-18(17(20)23)6-8-21(11-18)16(22)14-15(13-3-4-13)25-12-19-14/h12-13H,2-11H2,1H3.
What are the key properties of 2-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
2-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 347.42 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72850378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).