5-methyl-4-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]-1,3-oxazole

C14H14N4O — CID 72850941

IUPAC5-methyl-4-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]-1,3-oxazole
SMILESCc1ocnc1-c1ncnn1CCc1ccccc1
InChIInChI=1S/C14H14N4O/c1-11-13(16-10-19-11)14-15-9-17-18(14)8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3
InChIKeyRYDFPVXCJVJDBE-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.48
Rot. Bonds4

About 5-methyl-4-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]-1,3-oxazole

5-methyl-4-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]-1,3-oxazole (PubChem CID 72850941) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-methyl-4-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-4-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]-1,3-oxazole
PubChem CID72850941
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name5-methyl-4-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]-1,3-oxazole
SMILESCc1ocnc1-c1ncnn1CCc1ccccc1
InChIInChI=1S/C14H14N4O/c1-11-13(16-10-19-11)14-15-9-17-18(14)8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3
InChIKeyRYDFPVXCJVJDBE-UHFFFAOYSA-N
XLogP2.48
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-1-(2-phenylethyl)pyrazole
CID 10419930
4-benzyl-5-(2-ethyl-1,2,4-triazol-3-yl)-1,3-oxazole
CID 163311032
4-methyl-1-(2-phenylethyl)pyrazol-5-amine
CID 43148141
1-[2-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]phenyl]-1,3-diazinane-2,4-dione
CID 72848519
4-methyl-5-phenyl-1-(2-phenylethyl)pyrazole
CID 13353365
1-methyl-4-[4-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]butan-2-yl]piperazine
CID 131944510
[2-(4-phenylbutyl)-1,2,4-triazol-3-yl]methanamine
CID 114334607
1-(2-phenylethyl)-5-(3-pyrazolidin-4-ylpropyl)-1,2,4-triazole
CID 134080264
1-benzyl-5-methyl-1,2,4-triazin-6-one
CID 15722032
3-chloro-5-methyl-1-(2-phenylethyl)-1,2,4-triazole;hydrochloride
CID 52997057
(3R)-3-[[2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-4-propan-2-ylpiperazin-2-one
CID 97207490
4-[2-[2-(3-methoxyphenyl)ethyl]-1,2,4-triazol-3-yl]benzonitrile
CID 142800173

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]-1,3-oxazole?
The IUPAC name of 5-methyl-4-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]-1,3-oxazole (CID 72850941) is 5-methyl-4-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-4-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]-1,3-oxazole?
The canonical SMILES for 5-methyl-4-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]-1,3-oxazole is Cc1ocnc1-c1ncnn1CCc1ccccc1.
What is the InChIKey of 5-methyl-4-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]-1,3-oxazole?
The InChIKey is RYDFPVXCJVJDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-11-13(16-10-19-11)14-15-9-17-18(14)8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 5-methyl-4-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]-1,3-oxazole?
5-methyl-4-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]-1,3-oxazole has a molecular weight of 254.29 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]-1,3-oxazole is sourced from PubChem (CID 72850941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).