3-(cyclopropylmethoxymethyl)-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxa-8-azaspiro[4.5]decane

C18H28N2O3 — CID 118744643

IUPAC3-(cyclopropylmethoxymethyl)-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxa-8-azaspiro[4.5]decane
SMILESCc1cc(CN2CCC3(CC2)COC(COCC2CC2)C3)no1
InChIInChI=1S/C18H28N2O3/c1-14-8-16(19-23-14)10-20-6-4-18(5-7-20)9-17(22-13-18)12-21-11-15-2-3-15/h8,15,17H,2-7,9-13H2,1H3
InChIKeyIBTHUTZMKSIALN-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.78
Rot. Bonds6

About 3-(cyclopropylmethoxymethyl)-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxa-8-azaspiro[4.5]decane

3-(cyclopropylmethoxymethyl)-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxa-8-azaspiro[4.5]decane (PubChem CID 118744643) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 3-(cyclopropylmethoxymethyl)-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-(cyclopropylmethoxymethyl)-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxa-8-azaspiro[4.5]decane
PubChem CID118744643
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name3-(cyclopropylmethoxymethyl)-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxa-8-azaspiro[4.5]decane
SMILESCc1cc(CN2CCC3(CC2)COC(COCC2CC2)C3)no1
InChIInChI=1S/C18H28N2O3/c1-14-8-16(19-23-14)10-20-6-4-18(5-7-20)9-17(22-13-18)12-21-11-15-2-3-15/h8,15,17H,2-7,9-13H2,1H3
InChIKeyIBTHUTZMKSIALN-UHFFFAOYSA-N
XLogP2.78
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(cyclopropylmethoxymethyl)-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxa-8-azaspiro[4.5]decane 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-(cyclopropylmethoxymethyl)-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-(cyclopropylmethoxymethyl)-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxa-8-azaspiro[4.5]decane (CID 118744643) is 3-(cyclopropylmethoxymethyl)-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-(cyclopropylmethoxymethyl)-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-(cyclopropylmethoxymethyl)-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxa-8-azaspiro[4.5]decane is Cc1cc(CN2CCC3(CC2)COC(COCC2CC2)C3)no1.
What is the InChIKey of 3-(cyclopropylmethoxymethyl)-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is IBTHUTZMKSIALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-14-8-16(19-23-14)10-20-6-4-18(5-7-20)9-17(22-13-18)12-21-11-15-2-3-15/h8,15,17H,2-7,9-13H2,1H3.
What are the key properties of 3-(cyclopropylmethoxymethyl)-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxa-8-azaspiro[4.5]decane?
3-(cyclopropylmethoxymethyl)-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 320.43 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxymethyl)-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 118744643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).