3-(2-hydroxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one

C17H14N4O2 — CID 139233805

IUPAC3-(2-hydroxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one
SMILESO=C1C(c2ccccc2O)C(c2ccccc2)N1c1ncn[nH]1
InChIInChI=1S/C17H14N4O2/c22-13-9-5-4-8-12(13)14-15(11-6-2-1-3-7-11)21(16(14)23)17-18-10-19-20-17/h1-10,14-15,22H,(H,18,19,20)
InChIKeyDWRIHJURBHMXTB-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.38
Rot. Bonds3

About 3-(2-hydroxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one

3-(2-hydroxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one (PubChem CID 139233805) has the molecular formula C17H14N4O2 and a molecular weight of 306.32 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one
PubChem CID139233805
Molecular FormulaC17H14N4O2
Molecular Weight306.32 g/mol
Exact Mass306.11
IUPAC Name3-(2-hydroxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one
SMILESO=C1C(c2ccccc2O)C(c2ccccc2)N1c1ncn[nH]1
InChIInChI=1S/C17H14N4O2/c22-13-9-5-4-8-12(13)14-15(11-6-2-1-3-7-11)21(16(14)23)17-18-10-19-20-17/h1-10,14-15,22H,(H,18,19,20)
InChIKeyDWRIHJURBHMXTB-UHFFFAOYSA-N
XLogP2.38
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2-hydroxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

3-(4-methoxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one
CID 139233801
3-(2-hydroxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one
CID 139233812

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one?
The IUPAC name of 3-(2-hydroxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one (CID 139233805) is 3-(2-hydroxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one.
What is the SMILES notation for 3-(2-hydroxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one?
The canonical SMILES for 3-(2-hydroxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one is O=C1C(c2ccccc2O)C(c2ccccc2)N1c1ncn[nH]1.
What is the InChIKey of 3-(2-hydroxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one?
The InChIKey is DWRIHJURBHMXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c22-13-9-5-4-8-12(13)14-15(11-6-2-1-3-7-11)21(16(14)23)17-18-10-19-20-17/h1-10,14-15,22H,(H,18,19,20).
What are the key properties of 3-(2-hydroxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one?
3-(2-hydroxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one has a molecular weight of 306.32 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one is sourced from PubChem (CID 139233805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).