5-ethyl-4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole

C20H23FN4O — CID 50808666

IUPAC5-ethyl-4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
SMILESCCc1onc(C)c1C1CCCN1Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C20H23FN4O/c1-3-18-19(13(2)24-26-18)17-5-4-10-25(17)12-15-11-22-23-20(15)14-6-8-16(21)9-7-14/h6-9,11,17H,3-5,10,12H2,1-2H3,(H,22,23)
InChIKeyIFWXNYGOIVWJPK-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.41
Rot. Bonds5

About 5-ethyl-4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole

5-ethyl-4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole (PubChem CID 50808666) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is 5-ethyl-4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-ethyl-4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
PubChem CID50808666
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Name5-ethyl-4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
SMILESCCc1onc(C)c1C1CCCN1Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C20H23FN4O/c1-3-18-19(13(2)24-26-18)17-5-4-10-25(17)12-15-11-22-23-20(15)14-6-8-16(21)9-7-14/h6-9,11,17H,3-5,10,12H2,1-2H3,(H,22,23)
InChIKeyIFWXNYGOIVWJPK-UHFFFAOYSA-N
XLogP4.41
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-ethyl-4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole (CID 50808666) is 5-ethyl-4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-ethyl-4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-ethyl-4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole is CCc1onc(C)c1C1CCCN1Cc1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of 5-ethyl-4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole?
The InChIKey is IFWXNYGOIVWJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c1-3-18-19(13(2)24-26-18)17-5-4-10-25(17)12-15-11-22-23-20(15)14-6-8-16(21)9-7-14/h6-9,11,17H,3-5,10,12H2,1-2H3,(H,22,23).
What are the key properties of 5-ethyl-4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole?
5-ethyl-4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole has a molecular weight of 354.43 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 50808666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).