2-[[(2S)-6,6-dimethyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide

C16H27N3O4 — CID 129350879

IUPAC2-[[(2S)-6,6-dimethyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
SMILESCc1oncc1CN1C[C@@H](COCC(=O)N(C)C)OC(C)(C)C1
InChIInChI=1S/C16H27N3O4/c1-12-13(6-17-23-12)7-19-8-14(22-16(2,3)11-19)9-21-10-15(20)18(4)5/h6,14H,7-11H2,1-5H3/t14-/m0/s1
InChIKeyJOGVGZKEVBEYIZ-AWEZNQCLSA-N
MW325.41 g/mol
LogP1.07
Rot. Bonds6

About 2-[[(2S)-6,6-dimethyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide

2-[[(2S)-6,6-dimethyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide (PubChem CID 129350879) has the molecular formula C16H27N3O4 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[[(2S)-6,6-dimethyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(2S)-6,6-dimethyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
PubChem CID129350879
Molecular FormulaC16H27N3O4
Molecular Weight325.41 g/mol
Exact Mass325.20
IUPAC Name2-[[(2S)-6,6-dimethyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
SMILESCc1oncc1CN1C[C@@H](COCC(=O)N(C)C)OC(C)(C)C1
InChIInChI=1S/C16H27N3O4/c1-12-13(6-17-23-12)7-19-8-14(22-16(2,3)11-19)9-21-10-15(20)18(4)5/h6,14H,7-11H2,1-5H3/t14-/m0/s1
InChIKeyJOGVGZKEVBEYIZ-AWEZNQCLSA-N
XLogP1.07
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-6,6-dimethyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(2S)-6,6-dimethyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide (CID 129350879) is 2-[[(2S)-6,6-dimethyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(2S)-6,6-dimethyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(2S)-6,6-dimethyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide is Cc1oncc1CN1C[C@@H](COCC(=O)N(C)C)OC(C)(C)C1.
What is the InChIKey of 2-[[(2S)-6,6-dimethyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide?
The InChIKey is JOGVGZKEVBEYIZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H27N3O4/c1-12-13(6-17-23-12)7-19-8-14(22-16(2,3)11-19)9-21-10-15(20)18(4)5/h6,14H,7-11H2,1-5H3/t14-/m0/s1.
What are the key properties of 2-[[(2S)-6,6-dimethyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide?
2-[[(2S)-6,6-dimethyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide has a molecular weight of 325.41 g/mol, XLogP of 1.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-6,6-dimethyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 129350879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).