N-(3,4-dimethyl-1,2-oxazol-5-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide

C14H21N3O3 — CID 143999044

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCc1noc(NC(=O)N2CCC3(CCCO3)CC2)c1C
InChIInChI=1S/C14H21N3O3/c1-10-11(2)16-20-12(10)15-13(18)17-7-5-14(6-8-17)4-3-9-19-14/h3-9H2,1-2H3,(H,15,18)
InChIKeyDDJBPIDYBGWZPB-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.47
Rot. Bonds1

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 143999044) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID143999044
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCc1noc(NC(=O)N2CCC3(CCCO3)CC2)c1C
InChIInChI=1S/C14H21N3O3/c1-10-11(2)16-20-12(10)15-13(18)17-7-5-14(6-8-17)4-3-9-19-14/h3-9H2,1-2H3,(H,15,18)
InChIKeyDDJBPIDYBGWZPB-UHFFFAOYSA-N
XLogP2.47
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide (CID 143999044) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide is Cc1noc(NC(=O)N2CCC3(CCCO3)CC2)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is DDJBPIDYBGWZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10-11(2)16-20-12(10)15-13(18)17-7-5-14(6-8-17)4-3-9-19-14/h3-9H2,1-2H3,(H,15,18).
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 143999044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).