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

C24H20N4O2 — CID 139233808

IUPAC3-(4-methoxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one
SMILESCOc1ccc(C2C(=O)N(c3ncn[nH]3)C2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20N4O2/c1-30-20-14-12-17(13-15-20)21-22(29)28(23-25-16-26-27-23)24(21,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16,21H,1H3,(H,25,26,27)
InChIKeyVJEMEXVSHVMTIX-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.89
Rot. Bonds5

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

3-(4-methoxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one (PubChem CID 139233808) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one
PubChem CID139233808
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name3-(4-methoxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one
SMILESCOc1ccc(C2C(=O)N(c3ncn[nH]3)C2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20N4O2/c1-30-20-14-12-17(13-15-20)21-22(29)28(23-25-16-26-27-23)24(21,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16,21H,1H3,(H,25,26,27)
InChIKeyVJEMEXVSHVMTIX-UHFFFAOYSA-N
XLogP3.89
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-3,4-bis(4-methoxyphenyl)-1-[1-(1,2,4-triazole-1-carbonyl)piperidin-4-yl]azetidin-2-one
CID 127034179
(3R,4S)-3-(4-fluorophenyl)-4-(4-methoxyphenyl)-1-[1-(1,2,4-triazole-1-carbonyl)piperidin-4-yl]azetidin-2-one
CID 177382248
3-(4-methoxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one
CID 139233801
3-(4-hydroxy-3-methoxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one
CID 139233804
3-(4-hydroxy-3-methoxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one
CID 139233811
3-(2-hydroxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one
CID 139233812
2-fluoro-4-(2-fluoro-4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 53626674
(2R,3S)-1-butyl-2-(4-methoxyphenyl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
CID 30864243
(2S,3S)-1-butyl-2-(4-methoxyphenyl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
CID 30864246
(2R,3R)-1-butyl-2-(4-methoxyphenyl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
CID 30864249
(2S,3R)-1-butyl-2-(4-methoxyphenyl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
CID 30864252
1-butyl-2-(4-methoxyphenyl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
CID 42954260

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one?
The IUPAC name of 3-(4-methoxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one (CID 139233808) is 3-(4-methoxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one?
The canonical SMILES for 3-(4-methoxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one is COc1ccc(C2C(=O)N(c3ncn[nH]3)C2(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one?
The InChIKey is VJEMEXVSHVMTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-30-20-14-12-17(13-15-20)21-22(29)28(23-25-16-26-27-23)24(21,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16,21H,1H3,(H,25,26,27).
What are the key properties of 3-(4-methoxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one?
3-(4-methoxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one has a molecular weight of 396.45 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one is sourced from PubChem (CID 139233808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).