[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone

C19H26N4O3 — CID 167817550

IUPAC[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone
SMILESCC(C)n1ncnc1C(=O)N1CC(COc2ccccc2)OC(C)(C)C1
InChIInChI=1S/C19H26N4O3/c1-14(2)23-17(20-13-21-23)18(24)22-10-16(26-19(3,4)12-22)11-25-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3
InChIKeyDJFXZYIBPMATPG-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.56
Rot. Bonds5

About [2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone

[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone (PubChem CID 167817550) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is [2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone.

Molecular Properties

Compound Name[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone
PubChem CID167817550
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone
SMILESCC(C)n1ncnc1C(=O)N1CC(COc2ccccc2)OC(C)(C)C1
InChIInChI=1S/C19H26N4O3/c1-14(2)23-17(20-13-21-23)18(24)22-10-16(26-19(3,4)12-22)11-25-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3
InChIKeyDJFXZYIBPMATPG-UHFFFAOYSA-N
XLogP2.56
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-(5-methyl-2H-triazol-4-yl)methanone
CID 128978986
(2,5-dimethyl-1,3-oxazol-4-yl)-[(6R)-2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]methanone
CID 129487805
[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-[5-(hydroxymethyl)-1,2-oxazol-3-yl]methanone
CID 122153629
1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenoxyethanone
CID 129485528
1-[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 128989897
3-[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-2-hydroxy-2-methylpropanoic acid
CID 138032643
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-phenylpyrazol-3-yl)methanone
CID 129484804
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(4-phenylpyrimidin-5-yl)methanone
CID 129484526
4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyl-6-(phenoxymethyl)morpholine
CID 128976072
[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 128978788
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(5-methylfuran-2-yl)methanone
CID 129484541
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-propan-2-ylfuran-3-yl)methanone
CID 129485694

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone?
The IUPAC name of [2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone (CID 167817550) is [2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone.
What is the SMILES notation for [2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone?
The canonical SMILES for [2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone is CC(C)n1ncnc1C(=O)N1CC(COc2ccccc2)OC(C)(C)C1.
What is the InChIKey of [2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone?
The InChIKey is DJFXZYIBPMATPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-14(2)23-17(20-13-21-23)18(24)22-10-16(26-19(3,4)12-22)11-25-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3.
What are the key properties of [2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone?
[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone has a molecular weight of 358.44 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone is sourced from PubChem (CID 167817550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).