2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethanamine

C18H21FN4O — CID 171906462

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethanamine
SMILESCc1noc(C)c1CCN(C)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C18H21FN4O/c1-12-17(13(2)24-22-12)8-9-23(3)11-15-10-20-21-18(15)14-4-6-16(19)7-5-14/h4-7,10H,8-9,11H2,1-3H3,(H,20,21)
InChIKeyDAUPYDKJCINPFM-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.50
Rot. Bonds6

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethanamine

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethanamine (PubChem CID 171906462) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethanamine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethanamine
PubChem CID171906462
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethanamine
SMILESCc1noc(C)c1CCN(C)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C18H21FN4O/c1-12-17(13(2)24-22-12)8-9-23(3)11-15-10-20-21-18(15)14-4-6-16(19)7-5-14/h4-7,10H,8-9,11H2,1-3H3,(H,20,21)
InChIKeyDAUPYDKJCINPFM-UHFFFAOYSA-N
XLogP3.50
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethanamine?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethanamine (CID 171906462) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethanamine.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethanamine?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethanamine is Cc1noc(C)c1CCN(C)Cc1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethanamine?
The InChIKey is DAUPYDKJCINPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-12-17(13(2)24-22-12)8-9-23(3)11-15-10-20-21-18(15)14-4-6-16(19)7-5-14/h4-7,10H,8-9,11H2,1-3H3,(H,20,21).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethanamine?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethanamine has a molecular weight of 328.39 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethanamine is sourced from PubChem (CID 171906462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).