1-[4-[4-(1,3-oxazol-2-yl)phenoxy]-1H-triazol-5-yl]ethanone

C13H10N4O3 — CID 163854392

IUPAC1-[4-[4-(1,3-oxazol-2-yl)phenoxy]-1H-triazol-5-yl]ethanone
SMILESCC(=O)c1[nH]nnc1Oc1ccc(-c2ncco2)cc1
InChIInChI=1S/C13H10N4O3/c1-8(18)11-13(16-17-15-11)20-10-4-2-9(3-5-10)12-14-6-7-19-12/h2-7H,1H3,(H,15,16,17)
InChIKeyIMJOBZMNILEFOA-UHFFFAOYSA-N
MW270.25 g/mol
LogP2.45
Rot. Bonds4

About 1-[4-[4-(1,3-oxazol-2-yl)phenoxy]-1H-triazol-5-yl]ethanone

1-[4-[4-(1,3-oxazol-2-yl)phenoxy]-1H-triazol-5-yl]ethanone (PubChem CID 163854392) has the molecular formula C13H10N4O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 1-[4-[4-(1,3-oxazol-2-yl)phenoxy]-1H-triazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(1,3-oxazol-2-yl)phenoxy]-1H-triazol-5-yl]ethanone
PubChem CID163854392
Molecular FormulaC13H10N4O3
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC Name1-[4-[4-(1,3-oxazol-2-yl)phenoxy]-1H-triazol-5-yl]ethanone
SMILESCC(=O)c1[nH]nnc1Oc1ccc(-c2ncco2)cc1
InChIInChI=1S/C13H10N4O3/c1-8(18)11-13(16-17-15-11)20-10-4-2-9(3-5-10)12-14-6-7-19-12/h2-7H,1H3,(H,15,16,17)
InChIKeyIMJOBZMNILEFOA-UHFFFAOYSA-N
XLogP2.45
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[4-(4-pyridin-4-ylphenyl)phenoxy]-1H-triazol-5-yl]ethanone
CID 163428501
1-[4-[4-(furan-3-yl)phenoxy]-1H-triazol-5-yl]ethanone
CID 163412338
4-[4-(4-ethoxyphenyl)phenoxy]-1H-triazole-5-carboxylic acid
CID 139449248
1-[4-[(2-fluoro-3-pyridinyl)oxy]-1H-triazol-5-yl]ethanone
CID 163412329
2-(4-butoxyphenyl)-1,3-oxazole
CID 69161830
4-(4-tert-butylphenoxy)-1H-triazole-5-carboxylic acid
CID 137067793
4-[4-[4-(trifluoromethylsulfanyl)phenyl]phenoxy]-1H-triazole-5-carboxylic acid
CID 155386949
4-[(6-chloro-3-pyridinyl)oxy]-1H-triazole-5-carboxylic acid
CID 153390835
sodium 4-(4-fluorophenoxy)-1H-triazole-5-carboxylate
CID 156635096
4-[4-(3-methoxy-5-methylphenyl)phenoxy]-1H-triazole-5-carboxylic acid
CID 157091880
4-[4-(4-fluoro-3-methoxyphenyl)phenoxy]-1H-triazole-5-carboxylic acid
CID 139435034
4-isoquinolin-6-yloxy-1H-triazole-5-carboxylic acid
CID 155250545

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(1,3-oxazol-2-yl)phenoxy]-1H-triazol-5-yl]ethanone?
The IUPAC name of 1-[4-[4-(1,3-oxazol-2-yl)phenoxy]-1H-triazol-5-yl]ethanone (CID 163854392) is 1-[4-[4-(1,3-oxazol-2-yl)phenoxy]-1H-triazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(1,3-oxazol-2-yl)phenoxy]-1H-triazol-5-yl]ethanone?
The canonical SMILES for 1-[4-[4-(1,3-oxazol-2-yl)phenoxy]-1H-triazol-5-yl]ethanone is CC(=O)c1[nH]nnc1Oc1ccc(-c2ncco2)cc1.
What is the InChIKey of 1-[4-[4-(1,3-oxazol-2-yl)phenoxy]-1H-triazol-5-yl]ethanone?
The InChIKey is IMJOBZMNILEFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3/c1-8(18)11-13(16-17-15-11)20-10-4-2-9(3-5-10)12-14-6-7-19-12/h2-7H,1H3,(H,15,16,17).
What are the key properties of 1-[4-[4-(1,3-oxazol-2-yl)phenoxy]-1H-triazol-5-yl]ethanone?
1-[4-[4-(1,3-oxazol-2-yl)phenoxy]-1H-triazol-5-yl]ethanone has a molecular weight of 270.25 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(1,3-oxazol-2-yl)phenoxy]-1H-triazol-5-yl]ethanone is sourced from PubChem (CID 163854392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).