3-methyl-N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-1,2-oxazole-5-carboxamide

C15H22N2O4 — CID 75446722

IUPAC3-methyl-N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCC2COC3(CCC(C)CC3)O2)on1
InChIInChI=1S/C15H22N2O4/c1-10-3-5-15(6-4-10)19-9-12(20-15)8-16-14(18)13-7-11(2)17-21-13/h7,10,12H,3-6,8-9H2,1-2H3,(H,16,18)
InChIKeyZQUHJJPDKBGZNR-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.03
Rot. Bonds3

About 3-methyl-N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-1,2-oxazole-5-carboxamide

3-methyl-N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-1,2-oxazole-5-carboxamide (PubChem CID 75446722) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-methyl-N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-1,2-oxazole-5-carboxamide
PubChem CID75446722
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-methyl-N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCC2COC3(CCC(C)CC3)O2)on1
InChIInChI=1S/C15H22N2O4/c1-10-3-5-15(6-4-10)19-9-12(20-15)8-16-14(18)13-7-11(2)17-21-13/h7,10,12H,3-6,8-9H2,1-2H3,(H,16,18)
InChIKeyZQUHJJPDKBGZNR-UHFFFAOYSA-N
XLogP2.03
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-1,2-oxazole-5-carboxamide (CID 75446722) is 3-methyl-N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NCC2COC3(CCC(C)CC3)O2)on1.
What is the InChIKey of 3-methyl-N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is ZQUHJJPDKBGZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10-3-5-15(6-4-10)19-9-12(20-15)8-16-14(18)13-7-11(2)17-21-13/h7,10,12H,3-6,8-9H2,1-2H3,(H,16,18).
What are the key properties of 3-methyl-N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 75446722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).