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

C18H16N4O3 — CID 139233804

IUPAC3-(4-hydroxy-3-methoxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one
SMILESCOc1cc(C2C(=O)N(c3ncn[nH]3)C2c2ccccc2)ccc1O
InChIInChI=1S/C18H16N4O3/c1-25-14-9-12(7-8-13(14)23)15-16(11-5-3-2-4-6-11)22(17(15)24)18-19-10-20-21-18/h2-10,15-16,23H,1H3,(H,19,20,21)
InChIKeyQIGJDXDWBMQSRE-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.39
Rot. Bonds4

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

3-(4-hydroxy-3-methoxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one (PubChem CID 139233804) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 3-(4-hydroxy-3-methoxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one.

Molecular Properties

Compound Name3-(4-hydroxy-3-methoxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one
PubChem CID139233804
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name3-(4-hydroxy-3-methoxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one
SMILESCOc1cc(C2C(=O)N(c3ncn[nH]3)C2c2ccccc2)ccc1O
InChIInChI=1S/C18H16N4O3/c1-25-14-9-12(7-8-13(14)23)15-16(11-5-3-2-4-6-11)22(17(15)24)18-19-10-20-21-18/h2-10,15-16,23H,1H3,(H,19,20,21)
InChIKeyQIGJDXDWBMQSRE-UHFFFAOYSA-N
XLogP2.39
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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(3-methoxyphenyl)-1-[1-(1,2,4-triazole-1-carbonyl)piperidin-4-yl]azetidin-2-one
CID 177382249
(3R,4S)-4-(1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-1-[1-(1,2,4-triazole-1-carbonyl)piperidin-4-yl]azetidin-2-one
CID 177382251
3-(4-methoxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one
CID 139233801
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
2-[[amino-[[2-(3,4-dimethoxyphenyl)acetyl]amino]methylidene]amino]-N-benzyl-4-methyl-3-(1,2,4-triazol-1-yl)pentanamide
CID 175064491
(7S)-N-benzyl-7-(4-hydroxy-3-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 137018134
(7R)-N-benzyl-7-(4-hydroxy-3-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 137018135
rel-(2R,6S)-14-hydroxy-18-methoxy-4-[3-(4H-1,2,4-triazol-4-yl)propanoyl]-16-oxa-4,7-diazatetracyclo[15.3.1.1~11,15~.0~2,6~]docosa-1(21),11(22),12,14,17,19-hexaen-8-one
CID 155912651

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3-methoxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one?
The IUPAC name of 3-(4-hydroxy-3-methoxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one (CID 139233804) is 3-(4-hydroxy-3-methoxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one.
What is the SMILES notation for 3-(4-hydroxy-3-methoxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one?
The canonical SMILES for 3-(4-hydroxy-3-methoxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one is COc1cc(C2C(=O)N(c3ncn[nH]3)C2c2ccccc2)ccc1O.
What is the InChIKey of 3-(4-hydroxy-3-methoxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one?
The InChIKey is QIGJDXDWBMQSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-25-14-9-12(7-8-13(14)23)15-16(11-5-3-2-4-6-11)22(17(15)24)18-19-10-20-21-18/h2-10,15-16,23H,1H3,(H,19,20,21).
What are the key properties of 3-(4-hydroxy-3-methoxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one?
3-(4-hydroxy-3-methoxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one has a molecular weight of 336.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3-methoxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one is sourced from PubChem (CID 139233804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).