2-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-hydroxy-1,2,4-triazolidin-3-one

C18H20N6O3 — CID 143767120

IUPAC2-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-hydroxy-1,2,4-triazolidin-3-one
SMILESCc1noc(C)c1Cn1cc(N2C(=O)N(Cc3ccccc3)NC2O)cn1
InChIInChI=1S/C18H20N6O3/c1-12-16(13(2)27-21-12)11-22-10-15(8-19-22)24-17(25)20-23(18(24)26)9-14-6-4-3-5-7-14/h3-8,10,17,20,25H,9,11H2,1-2H3
InChIKeyZOPRTNGJVLQVCX-UHFFFAOYSA-N
MW368.40 g/mol
LogP1.76
Rot. Bonds5

About 2-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-hydroxy-1,2,4-triazolidin-3-one

2-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-hydroxy-1,2,4-triazolidin-3-one (PubChem CID 143767120) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is 2-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-hydroxy-1,2,4-triazolidin-3-one.

Molecular Properties

Compound Name2-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-hydroxy-1,2,4-triazolidin-3-one
PubChem CID143767120
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC Name2-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-hydroxy-1,2,4-triazolidin-3-one
SMILESCc1noc(C)c1Cn1cc(N2C(=O)N(Cc3ccccc3)NC2O)cn1
InChIInChI=1S/C18H20N6O3/c1-12-16(13(2)27-21-12)11-22-10-15(8-19-22)24-17(25)20-23(18(24)26)9-14-6-4-3-5-7-14/h3-8,10,17,20,25H,9,11H2,1-2H3
InChIKeyZOPRTNGJVLQVCX-UHFFFAOYSA-N
XLogP1.76
TPSA99.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 57422465
1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,3,5-triazinan-2-one
CID 57422418
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxy-1-(3-phenylpropyl)imidazol-2-one
CID 91113462
1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazole-4-carboxamide
CID 75461031
3,5-dimethyl-4-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1,2-oxazole
CID 71981003
(5E)-5-benzylidene-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione
CID 57462266
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 57422473
(5R)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methyl-1-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 67096060
4-[[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]benzoic acid
CID 53374773
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-hydroxyphenyl)methyl]imidazolidine-2,4-dione
CID 57422433
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(hydroxymethyl)-1-[(3-hydroxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 53375056
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-methylimidazolidine-2,4-dione
CID 57422470

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-hydroxy-1,2,4-triazolidin-3-one?
The IUPAC name of 2-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-hydroxy-1,2,4-triazolidin-3-one (CID 143767120) is 2-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-hydroxy-1,2,4-triazolidin-3-one.
What is the SMILES notation for 2-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-hydroxy-1,2,4-triazolidin-3-one?
The canonical SMILES for 2-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-hydroxy-1,2,4-triazolidin-3-one is Cc1noc(C)c1Cn1cc(N2C(=O)N(Cc3ccccc3)NC2O)cn1.
What is the InChIKey of 2-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-hydroxy-1,2,4-triazolidin-3-one?
The InChIKey is ZOPRTNGJVLQVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-12-16(13(2)27-21-12)11-22-10-15(8-19-22)24-17(25)20-23(18(24)26)9-14-6-4-3-5-7-14/h3-8,10,17,20,25H,9,11H2,1-2H3.
What are the key properties of 2-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-hydroxy-1,2,4-triazolidin-3-one?
2-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-hydroxy-1,2,4-triazolidin-3-one has a molecular weight of 368.40 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-hydroxy-1,2,4-triazolidin-3-one is sourced from PubChem (CID 143767120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).