2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methyl]ethanamine

C24H26N4O — CID 119125373

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methyl]ethanamine
SMILESCc1ccccc1-c1nn(-c2ccccc2)cc1CNCCc1c(C)noc1C
InChIInChI=1S/C24H26N4O/c1-17-9-7-8-12-22(17)24-20(16-28(26-24)21-10-5-4-6-11-21)15-25-14-13-23-18(2)27-29-19(23)3/h4-12,16,25H,13-15H2,1-3H3
InChIKeyKNWJRGFROHBTQA-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.78
Rot. Bonds7

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methyl]ethanamine

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methyl]ethanamine (PubChem CID 119125373) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methyl]ethanamine
PubChem CID119125373
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methyl]ethanamine
SMILESCc1ccccc1-c1nn(-c2ccccc2)cc1CNCCc1c(C)noc1C
InChIInChI=1S/C24H26N4O/c1-17-9-7-8-12-22(17)24-20(16-28(26-24)21-10-5-4-6-11-21)15-25-14-13-23-18(2)27-29-19(23)3/h4-12,16,25H,13-15H2,1-3H3
InChIKeyKNWJRGFROHBTQA-UHFFFAOYSA-N
XLogP4.78
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
CID 119125389
(2R)-2-[[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]propan-1-ol
CID 47624262
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine
CID 112727546
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 28536639
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(1H-indol-3-yl)ethanamine
CID 28781264
1-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-N-methylmethanamine
CID 31738776
N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-phenylethanamine
CID 4792477
2-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylamino]ethanol
CID 71688046
(5-methyl-1,2-oxazol-3-yl)methyl 3-(2-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 8955375
N-[[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 41041101
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
CID 119125348
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 31133358

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methyl]ethanamine (CID 119125373) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methyl]ethanamine is Cc1ccccc1-c1nn(-c2ccccc2)cc1CNCCc1c(C)noc1C.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methyl]ethanamine?
The InChIKey is KNWJRGFROHBTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-17-9-7-8-12-22(17)24-20(16-28(26-24)21-10-5-4-6-11-21)15-25-14-13-23-18(2)27-29-19(23)3/h4-12,16,25H,13-15H2,1-3H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methyl]ethanamine?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methyl]ethanamine has a molecular weight of 386.50 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 119125373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).