2-[4-[[5-methoxy-2-(1,2-oxazol-5-yl)phenoxy]methyl]triazol-1-yl]-1-morpholin-4-ylethanone

C19H21N5O5 — CID 139221438

IUPAC2-[4-[[5-methoxy-2-(1,2-oxazol-5-yl)phenoxy]methyl]triazol-1-yl]-1-morpholin-4-ylethanone
SMILESCOc1ccc(-c2ccno2)c(OCc2cn(CC(=O)N3CCOCC3)nn2)c1
InChIInChI=1S/C19H21N5O5/c1-26-15-2-3-16(17-4-5-20-29-17)18(10-15)28-13-14-11-24(22-21-14)12-19(25)23-6-8-27-9-7-23/h2-5,10-11H,6-9,12-13H2,1H3
InChIKeyTXFJOMOGJBDQMT-UHFFFAOYSA-N
MW399.41 g/mol
LogP1.38
Rot. Bonds7

About 2-[4-[[5-methoxy-2-(1,2-oxazol-5-yl)phenoxy]methyl]triazol-1-yl]-1-morpholin-4-ylethanone

2-[4-[[5-methoxy-2-(1,2-oxazol-5-yl)phenoxy]methyl]triazol-1-yl]-1-morpholin-4-ylethanone (PubChem CID 139221438) has the molecular formula C19H21N5O5 and a molecular weight of 399.41 g/mol. Its IUPAC name is 2-[4-[[5-methoxy-2-(1,2-oxazol-5-yl)phenoxy]methyl]triazol-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[[5-methoxy-2-(1,2-oxazol-5-yl)phenoxy]methyl]triazol-1-yl]-1-morpholin-4-ylethanone
PubChem CID139221438
Molecular FormulaC19H21N5O5
Molecular Weight399.41 g/mol
Exact Mass399.15
IUPAC Name2-[4-[[5-methoxy-2-(1,2-oxazol-5-yl)phenoxy]methyl]triazol-1-yl]-1-morpholin-4-ylethanone
SMILESCOc1ccc(-c2ccno2)c(OCc2cn(CC(=O)N3CCOCC3)nn2)c1
InChIInChI=1S/C19H21N5O5/c1-26-15-2-3-16(17-4-5-20-29-17)18(10-15)28-13-14-11-24(22-21-14)12-19(25)23-6-8-27-9-7-23/h2-5,10-11H,6-9,12-13H2,1H3
InChIKeyTXFJOMOGJBDQMT-UHFFFAOYSA-N
XLogP1.38
TPSA104.74 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[4-[[5-methoxy-2-(1,2-oxazol-5-yl)phenoxy]methyl]triazol-1-yl]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

2-[4-[4-[[5-methoxy-2-(1,2-oxazol-5-yl)phenoxy]methyl]triazol-1-yl]butyl]isoindole-1,3-dione
CID 139221437
2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 100830453
2-[4-(2-hydroxyethyl)triazol-1-yl]-1-morpholin-4-ylethanone
CID 62399432
5-[4-fluoro-2-[[1-[2-(4-methoxyanilino)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]-1,2-oxazole-3-carboxylic acid
CID 42612301
2-[4-(methylaminomethyl)triazol-1-yl]-1-morpholin-4-ylethanone
CID 66215849
2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 171133252
2-(2-amino-5-methoxyphenoxy)-1-morpholin-4-ylethanone
CID 102702500
1-(4-ethylpiperazin-1-yl)-2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]ethanone
CID 100830216
2-[3-[4-(difluoromethoxy)-3-[(4-methoxyphenyl)methoxy]phenyl]pyrazol-1-yl]-1-morpholin-4-ylethanone
CID 167212258
6-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 7671840
2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 110210643
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]ethanone
CID 100830210

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-methoxy-2-(1,2-oxazol-5-yl)phenoxy]methyl]triazol-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[[5-methoxy-2-(1,2-oxazol-5-yl)phenoxy]methyl]triazol-1-yl]-1-morpholin-4-ylethanone (CID 139221438) is 2-[4-[[5-methoxy-2-(1,2-oxazol-5-yl)phenoxy]methyl]triazol-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[[5-methoxy-2-(1,2-oxazol-5-yl)phenoxy]methyl]triazol-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[[5-methoxy-2-(1,2-oxazol-5-yl)phenoxy]methyl]triazol-1-yl]-1-morpholin-4-ylethanone is COc1ccc(-c2ccno2)c(OCc2cn(CC(=O)N3CCOCC3)nn2)c1.
What is the InChIKey of 2-[4-[[5-methoxy-2-(1,2-oxazol-5-yl)phenoxy]methyl]triazol-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is TXFJOMOGJBDQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O5/c1-26-15-2-3-16(17-4-5-20-29-17)18(10-15)28-13-14-11-24(22-21-14)12-19(25)23-6-8-27-9-7-23/h2-5,10-11H,6-9,12-13H2,1H3.
What are the key properties of 2-[4-[[5-methoxy-2-(1,2-oxazol-5-yl)phenoxy]methyl]triazol-1-yl]-1-morpholin-4-ylethanone?
2-[4-[[5-methoxy-2-(1,2-oxazol-5-yl)phenoxy]methyl]triazol-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 399.41 g/mol, XLogP of 1.38, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-methoxy-2-(1,2-oxazol-5-yl)phenoxy]methyl]triazol-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 139221438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).