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

C18H16N4O2 — CID 139233801

IUPAC3-(4-methoxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one
SMILESCOc1ccc(C2C(=O)N(c3ncn[nH]3)C2c2ccccc2)cc1
InChIInChI=1S/C18H16N4O2/c1-24-14-9-7-12(8-10-14)15-16(13-5-3-2-4-6-13)22(17(15)23)18-19-11-20-21-18/h2-11,15-16H,1H3,(H,19,20,21)
InChIKeyMZHDDYLHRCECGO-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.68
Rot. Bonds4

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

3-(4-methoxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one (PubChem CID 139233801) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one
PubChem CID139233801
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name3-(4-methoxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one
SMILESCOc1ccc(C2C(=O)N(c3ncn[nH]3)C2c2ccccc2)cc1
InChIInChI=1S/C18H16N4O2/c1-24-14-9-7-12(8-10-14)15-16(13-5-3-2-4-6-13)22(17(15)23)18-19-11-20-21-18/h2-11,15-16H,1H3,(H,19,20,21)
InChIKeyMZHDDYLHRCECGO-UHFFFAOYSA-N
XLogP2.68
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-4-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-[1-(1,2,4-triazole-1-carbonyl)piperidin-4-yl]azetidin-2-one
CID 127034177
(3R,4S)-3,4-bis(3,4-dimethoxyphenyl)-1-[1-(1,2,4-triazole-1-carbonyl)piperidin-4-yl]azetidin-2-one
CID 127034178
(3R,4S)-3,4-bis(4-methoxyphenyl)-1-[1-(1,2,4-triazole-1-carbonyl)piperidin-4-yl]azetidin-2-one
CID 127034179
(2S)-N-[(1R)-1-[4-(cyclobutylmethoxy)phenyl]-2-(1,2,4-triazol-1-yl)ethyl]-2-phenylpropanamide
CID 168291461
N-[1-(4-methoxyphenyl)cyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 16674697
(3R,4S)-3-(4-fluorophenyl)-4-(4-methoxyphenyl)-1-[1-(1,2,4-triazole-1-carbonyl)piperidin-4-yl]azetidin-2-one
CID 177382248
(3R,4S)-3,4-bis(3-methoxyphenyl)-1-[1-(1,2,4-triazole-1-carbonyl)piperidin-4-yl]azetidin-2-one
CID 177382249
3-(4-hydroxy-3-methoxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one
CID 139233804
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
3-(4-hydroxy-3-methoxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one
CID 139233811
N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(4-methoxyphenyl)acetamide
CID 39855212

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one?
The IUPAC name of 3-(4-methoxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one (CID 139233801) is 3-(4-methoxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one?
The canonical SMILES for 3-(4-methoxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one is COc1ccc(C2C(=O)N(c3ncn[nH]3)C2c2ccccc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one?
The InChIKey is MZHDDYLHRCECGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-24-14-9-7-12(8-10-14)15-16(13-5-3-2-4-6-13)22(17(15)23)18-19-11-20-21-18/h2-11,15-16H,1H3,(H,19,20,21).
What are the key properties of 3-(4-methoxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one?
3-(4-methoxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one has a molecular weight of 320.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one is sourced from PubChem (CID 139233801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).