1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]-2-phenylethanol

C15H16N4O2 — CID 146135452

IUPAC1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]-2-phenylethanol
SMILESCc1cc(Cn2cc(C(O)Cc3ccccc3)nn2)no1
InChIInChI=1S/C15H16N4O2/c1-11-7-13(17-21-11)9-19-10-14(16-18-19)15(20)8-12-5-3-2-4-6-12/h2-7,10,15,20H,8-9H2,1H3
InChIKeyATTNATJGQZFEPF-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.90
Rot. Bonds5

About 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]-2-phenylethanol

1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]-2-phenylethanol (PubChem CID 146135452) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]-2-phenylethanol.

Molecular Properties

Compound Name1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]-2-phenylethanol
PubChem CID146135452
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]-2-phenylethanol
SMILESCc1cc(Cn2cc(C(O)Cc3ccccc3)nn2)no1
InChIInChI=1S/C15H16N4O2/c1-11-7-13(17-21-11)9-19-10-14(16-18-19)15(20)8-12-5-3-2-4-6-12/h2-7,10,15,20H,8-9H2,1H3
InChIKeyATTNATJGQZFEPF-UHFFFAOYSA-N
XLogP1.90
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]-2-phenylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]-2-phenylethanol?
The IUPAC name of 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]-2-phenylethanol (CID 146135452) is 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]-2-phenylethanol.
What is the SMILES notation for 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]-2-phenylethanol?
The canonical SMILES for 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]-2-phenylethanol is Cc1cc(Cn2cc(C(O)Cc3ccccc3)nn2)no1.
What is the InChIKey of 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]-2-phenylethanol?
The InChIKey is ATTNATJGQZFEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-11-7-13(17-21-11)9-19-10-14(16-18-19)15(20)8-12-5-3-2-4-6-12/h2-7,10,15,20H,8-9H2,1H3.
What are the key properties of 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]-2-phenylethanol?
1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]-2-phenylethanol has a molecular weight of 284.32 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]-2-phenylethanol is sourced from PubChem (CID 146135452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).