8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane

C19H29N5O2 — CID 118746063

IUPAC8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCc1noc(C)c1CN1CCCC2(C1)CN(Cc1nccn1C)CCO2
InChIInChI=1S/C19H29N5O2/c1-15-17(16(2)26-21-15)11-23-7-4-5-19(13-23)14-24(9-10-25-19)12-18-20-6-8-22(18)3/h6,8H,4-5,7,9-14H2,1-3H3
InChIKeyCSOQCCWBZCGGGF-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.89
Rot. Bonds4

About 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane

8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 118746063) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID118746063
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCc1noc(C)c1CN1CCCC2(C1)CN(Cc1nccn1C)CCO2
InChIInChI=1S/C19H29N5O2/c1-15-17(16(2)26-21-15)11-23-7-4-5-19(13-23)14-24(9-10-25-19)12-18-20-6-8-22(18)3/h6,8H,4-5,7,9-14H2,1-3H3
InChIKeyCSOQCCWBZCGGGF-UHFFFAOYSA-N
XLogP1.89
TPSA59.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane (CID 118746063) is 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane is Cc1noc(C)c1CN1CCCC2(C1)CN(Cc1nccn1C)CCO2.
What is the InChIKey of 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is CSOQCCWBZCGGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-15-17(16(2)26-21-15)11-23-7-4-5-19(13-23)14-24(9-10-25-19)12-18-20-6-8-22(18)3/h6,8H,4-5,7,9-14H2,1-3H3.
What are the key properties of 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane?
8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane has a molecular weight of 359.47 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 118746063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).