4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one

C21H21N5O2 — CID 57399557

IUPAC4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(NCc2nnc(Cc3ccccc3)o2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H21N5O2/c1-15-20(21(27)26(25(15)2)17-11-7-4-8-12-17)22-14-19-24-23-18(28-19)13-16-9-5-3-6-10-16/h3-12,22H,13-14H2,1-2H3
InChIKeyYMGAQDPIZQYVOH-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.07
Rot. Bonds6

About 4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one

4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 57399557) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID57399557
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(NCc2nnc(Cc3ccccc3)o2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H21N5O2/c1-15-20(21(27)26(25(15)2)17-11-7-4-8-12-17)22-14-19-24-23-18(28-19)13-16-9-5-3-6-10-16/h3-12,22H,13-14H2,1-2H3
InChIKeyYMGAQDPIZQYVOH-UHFFFAOYSA-N
XLogP3.07
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one with MolForge

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Related Compounds

2-ethyl-N-[3-fluoro-4-[4-[phenyl-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]phenyl]butanamide
CID 68872605
5-[(4-fluorophenyl)methyl]-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide
CID 16017911
2-[[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 2549659
N-cyclopropyl-3-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzamide
CID 16296721
US11033539, Cpd. No. 6-19
CID 162370253
1,5-Dimethyl-2-phenyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]pyrazol-3-one
CID 2147290
1,5-Dimethyl-2-phenyl-4-[[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]methylamino]pyrazol-3-one
CID 56951310
4-[[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-1,5-dimethyl-2-phenyl-pyrazol-3-one
CID 57403068
4-[[5-(4-Aminophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-1,5-dimethyl-2-phenyl-pyrazol-3-one
CID 57403069
5-benzyl-N-[(3S)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1,3,4-oxadiazole-2-carboxamide
CID 130299231
1,5-Dimethyl-4-[[5-(o-tolyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-phenyl-pyrazol-3-one
CID 57401310
1,5-Dimethyl-4-[[5-(m-tolyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-phenyl-pyrazol-3-one
CID 57401311

Frequently Asked Questions

What is the IUPAC name of 4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one (CID 57399557) is 4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one is Cc1c(NCc2nnc(Cc3ccccc3)o2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is YMGAQDPIZQYVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-15-20(21(27)26(25(15)2)17-11-7-4-8-12-17)22-14-19-24-23-18(28-19)13-16-9-5-3-6-10-16/h3-12,22H,13-14H2,1-2H3.
What are the key properties of 4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 375.43 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 57399557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).