2-[1,4-dioxan-2-ylmethyl(methyl)amino]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide

C17H29N3O5 — CID 70820826

IUPAC2-[1,4-dioxan-2-ylmethyl(methyl)amino]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide
SMILESCN(CC1COCCO1)C(C)(C)C(=O)Nc1cc(C(C)(C)CO)no1
InChIInChI=1S/C17H29N3O5/c1-16(2,11-21)13-8-14(25-19-13)18-15(22)17(3,4)20(5)9-12-10-23-6-7-24-12/h8,12,21H,6-7,9-11H2,1-5H3,(H,18,22)
InChIKeyIXFZGWZUIFGCCX-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.01
Rot. Bonds7

About 2-[1,4-dioxan-2-ylmethyl(methyl)amino]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide

2-[1,4-dioxan-2-ylmethyl(methyl)amino]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide (PubChem CID 70820826) has the molecular formula C17H29N3O5 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[1,4-dioxan-2-ylmethyl(methyl)amino]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[1,4-dioxan-2-ylmethyl(methyl)amino]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide
PubChem CID70820826
Molecular FormulaC17H29N3O5
Molecular Weight355.44 g/mol
Exact Mass355.21
IUPAC Name2-[1,4-dioxan-2-ylmethyl(methyl)amino]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide
SMILESCN(CC1COCCO1)C(C)(C)C(=O)Nc1cc(C(C)(C)CO)no1
InChIInChI=1S/C17H29N3O5/c1-16(2,11-21)13-8-14(25-19-13)18-15(22)17(3,4)20(5)9-12-10-23-6-7-24-12/h8,12,21H,6-7,9-11H2,1-5H3,(H,18,22)
InChIKeyIXFZGWZUIFGCCX-UHFFFAOYSA-N
XLogP1.01
TPSA97.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1,4-dioxan-2-ylmethyl(methyl)amino]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide?
The IUPAC name of 2-[1,4-dioxan-2-ylmethyl(methyl)amino]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide (CID 70820826) is 2-[1,4-dioxan-2-ylmethyl(methyl)amino]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide.
What is the SMILES notation for 2-[1,4-dioxan-2-ylmethyl(methyl)amino]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide?
The canonical SMILES for 2-[1,4-dioxan-2-ylmethyl(methyl)amino]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide is CN(CC1COCCO1)C(C)(C)C(=O)Nc1cc(C(C)(C)CO)no1.
What is the InChIKey of 2-[1,4-dioxan-2-ylmethyl(methyl)amino]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide?
The InChIKey is IXFZGWZUIFGCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O5/c1-16(2,11-21)13-8-14(25-19-13)18-15(22)17(3,4)20(5)9-12-10-23-6-7-24-12/h8,12,21H,6-7,9-11H2,1-5H3,(H,18,22).
What are the key properties of 2-[1,4-dioxan-2-ylmethyl(methyl)amino]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide?
2-[1,4-dioxan-2-ylmethyl(methyl)amino]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide has a molecular weight of 355.44 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,4-dioxan-2-ylmethyl(methyl)amino]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide is sourced from PubChem (CID 70820826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).