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

C23H18N4O2 — CID 139233812

IUPAC3-(2-hydroxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one
SMILESO=C1C(c2ccccc2O)C(c2ccccc2)(c2ccccc2)N1c1ncn[nH]1
InChIInChI=1S/C23H18N4O2/c28-19-14-8-7-13-18(19)20-21(29)27(22-24-15-25-26-22)23(20,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15,20,28H,(H,24,25,26)
InChIKeyGQEOPIOXQMRVLT-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.58
Rot. Bonds4

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

3-(2-hydroxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one (PubChem CID 139233812) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one
PubChem CID139233812
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name3-(2-hydroxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one
SMILESO=C1C(c2ccccc2O)C(c2ccccc2)(c2ccccc2)N1c1ncn[nH]1
InChIInChI=1S/C23H18N4O2/c28-19-14-8-7-13-18(19)20-21(29)27(22-24-15-25-26-22)23(20,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15,20,28H,(H,24,25,26)
InChIKeyGQEOPIOXQMRVLT-UHFFFAOYSA-N
XLogP3.58
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-hydroxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one
CID 139233805
3-(4-methoxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one
CID 139233808

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one?
The IUPAC name of 3-(2-hydroxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one (CID 139233812) is 3-(2-hydroxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one.
What is the SMILES notation for 3-(2-hydroxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one?
The canonical SMILES for 3-(2-hydroxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one is O=C1C(c2ccccc2O)C(c2ccccc2)(c2ccccc2)N1c1ncn[nH]1.
What is the InChIKey of 3-(2-hydroxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one?
The InChIKey is GQEOPIOXQMRVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c28-19-14-8-7-13-18(19)20-21(29)27(22-24-15-25-26-22)23(20,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15,20,28H,(H,24,25,26).
What are the key properties of 3-(2-hydroxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one?
3-(2-hydroxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one has a molecular weight of 382.42 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one is sourced from PubChem (CID 139233812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).