9-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane

C14H22N2O2 — CID 71968456

IUPAC9-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane
SMILESCc1nc(CN2CCOC3(CCCC3)C2)oc1C
InChIInChI=1S/C14H22N2O2/c1-11-12(2)18-13(15-11)9-16-7-8-17-14(10-16)5-3-4-6-14/h3-10H2,1-2H3
InChIKeyVNIPMUIMQGKCKR-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.44
Rot. Bonds2

About 9-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane

9-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane (PubChem CID 71968456) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 9-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane
PubChem CID71968456
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name9-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane
SMILESCc1nc(CN2CCOC3(CCCC3)C2)oc1C
InChIInChI=1S/C14H22N2O2/c1-11-12(2)18-13(15-11)9-16-7-8-17-14(10-16)5-3-4-6-14/h3-10H2,1-2H3
InChIKeyVNIPMUIMQGKCKR-UHFFFAOYSA-N
XLogP2.44
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane (CID 71968456) is 9-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane is Cc1nc(CN2CCOC3(CCCC3)C2)oc1C.
What is the InChIKey of 9-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is VNIPMUIMQGKCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11-12(2)18-13(15-11)9-16-7-8-17-14(10-16)5-3-4-6-14/h3-10H2,1-2H3.
What are the key properties of 9-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane?
9-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 250.34 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 71968456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).