1-morpholin-4-yl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone

C14H16N4O3 — CID 171138651

IUPAC1-morpholin-4-yl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone
SMILESO=C(COc1ncn(-c2ccccc2)n1)N1CCOCC1
InChIInChI=1S/C14H16N4O3/c19-13(17-6-8-20-9-7-17)10-21-14-15-11-18(16-14)12-4-2-1-3-5-12/h1-5,11H,6-10H2
InChIKeyNWFNOOPCPQFHLW-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.50
Rot. Bonds4

About 1-morpholin-4-yl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone

1-morpholin-4-yl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone (PubChem CID 171138651) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone
PubChem CID171138651
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name1-morpholin-4-yl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone
SMILESO=C(COc1ncn(-c2ccccc2)n1)N1CCOCC1
InChIInChI=1S/C14H16N4O3/c19-13(17-6-8-20-9-7-17)10-21-14-15-11-18(16-14)12-4-2-1-3-5-12/h1-5,11H,6-10H2
InChIKeyNWFNOOPCPQFHLW-UHFFFAOYSA-N
XLogP0.50
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-ethylpiperazin-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone
CID 171138674
2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
CID 1486531
2-(2-bromophenoxy)-1-morpholin-4-ylethanone
CID 725441
2-(2-chlorophenoxy)-1-morpholin-4-ylethanone
CID 905479
3-(2-morpholin-4-yl-2-oxoethoxy)pyridine-2-carboxylic acid
CID 61380057
1-morpholin-4-yl-2-naphthalen-1-yloxyethanone
CID 954548
(2-morpholin-4-yl-2-oxoethyl) 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 8628593
1-morpholin-4-yl-2-[4-[(E)-(phenylhydrazinylidene)methyl]phenoxy]ethanone
CID 126022835
(2-morpholin-4-yl-2-oxoethyl) 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 2103687
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
(E)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enoic acid
CID 29017799
2-[2-(aminomethyl)phenoxy]-1-(1,4-oxazepan-4-yl)ethanone
CID 55154462

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone (CID 171138651) is 1-morpholin-4-yl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone is O=C(COc1ncn(-c2ccccc2)n1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone?
The InChIKey is NWFNOOPCPQFHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c19-13(17-6-8-20-9-7-17)10-21-14-15-11-18(16-14)12-4-2-1-3-5-12/h1-5,11H,6-10H2.
What are the key properties of 1-morpholin-4-yl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone?
1-morpholin-4-yl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone has a molecular weight of 288.31 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone is sourced from PubChem (CID 171138651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).