(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone

C15H22N2O4 — CID 71874878

IUPAC(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
SMILESCC1COC2(CCN(C(=O)c3ncoc3C(C)C)CC2)O1
InChIInChI=1S/C15H22N2O4/c1-10(2)13-12(16-9-19-13)14(18)17-6-4-15(5-7-17)20-8-11(3)21-15/h9-11H,4-8H2,1-3H3
InChIKeyXMTRNBCQFBOOMH-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.17
Rot. Bonds2

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

(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone (PubChem CID 71874878) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is (3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
PubChem CID71874878
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
SMILESCC1COC2(CCN(C(=O)c3ncoc3C(C)C)CC2)O1
InChIInChI=1S/C15H22N2O4/c1-10(2)13-12(16-9-19-13)14(18)17-6-4-15(5-7-17)20-8-11(3)21-15/h9-11H,4-8H2,1-3H3
InChIKeyXMTRNBCQFBOOMH-UHFFFAOYSA-N
XLogP2.17
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
The IUPAC name of (3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone (CID 71874878) is (3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for (3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for (3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone is CC1COC2(CCN(C(=O)c3ncoc3C(C)C)CC2)O1.
What is the InChIKey of (3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
The InChIKey is XMTRNBCQFBOOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10(2)13-12(16-9-19-13)14(18)17-6-4-15(5-7-17)20-8-11(3)21-15/h9-11H,4-8H2,1-3H3.
What are the key properties of (3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone has a molecular weight of 294.35 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 71874878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).