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

C15H16N4O2 — CID 126822772

IUPAC3-[[4-(2-propoxyphenyl)triazol-1-yl]methyl]-1,2-oxazole
SMILESCCCOc1ccccc1-c1cn(Cc2ccon2)nn1
InChIInChI=1S/C15H16N4O2/c1-2-8-20-15-6-4-3-5-13(15)14-11-19(18-16-14)10-12-7-9-21-17-12/h3-7,9,11H,2,8,10H2,1H3
InChIKeyKZHNLPUQVSEJOU-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.77
Rot. Bonds6

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

3-[[4-(2-propoxyphenyl)triazol-1-yl]methyl]-1,2-oxazole (PubChem CID 126822772) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-[[4-(2-propoxyphenyl)triazol-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-(2-propoxyphenyl)triazol-1-yl]methyl]-1,2-oxazole
PubChem CID126822772
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-[[4-(2-propoxyphenyl)triazol-1-yl]methyl]-1,2-oxazole
SMILESCCCOc1ccccc1-c1cn(Cc2ccon2)nn1
InChIInChI=1S/C15H16N4O2/c1-2-8-20-15-6-4-3-5-13(15)14-11-19(18-16-14)10-12-7-9-21-17-12/h3-7,9,11H,2,8,10H2,1H3
InChIKeyKZHNLPUQVSEJOU-UHFFFAOYSA-N
XLogP2.77
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-propoxyphenyl)triazol-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-[[4-(2-propoxyphenyl)triazol-1-yl]methyl]-1,2-oxazole (CID 126822772) is 3-[[4-(2-propoxyphenyl)triazol-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-[[4-(2-propoxyphenyl)triazol-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-[[4-(2-propoxyphenyl)triazol-1-yl]methyl]-1,2-oxazole is CCCOc1ccccc1-c1cn(Cc2ccon2)nn1.
What is the InChIKey of 3-[[4-(2-propoxyphenyl)triazol-1-yl]methyl]-1,2-oxazole?
The InChIKey is KZHNLPUQVSEJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-2-8-20-15-6-4-3-5-13(15)14-11-19(18-16-14)10-12-7-9-21-17-12/h3-7,9,11H,2,8,10H2,1H3.
What are the key properties of 3-[[4-(2-propoxyphenyl)triazol-1-yl]methyl]-1,2-oxazole?
3-[[4-(2-propoxyphenyl)triazol-1-yl]methyl]-1,2-oxazole has a molecular weight of 284.32 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-propoxyphenyl)triazol-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 126822772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).