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

C20H23FN4O — CID 53035022

IUPAC5-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
SMILESCC(C)c1cc(C2CCCN2Cc2cn[nH]c2-c2ccc(F)cc2)on1
InChIInChI=1S/C20H23FN4O/c1-13(2)17-10-19(26-24-17)18-4-3-9-25(18)12-15-11-22-23-20(15)14-5-7-16(21)8-6-14/h5-8,10-11,13,18H,3-4,9,12H2,1-2H3,(H,22,23)
InChIKeyDQNXBNQXKWYAIN-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.66
Rot. Bonds5

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

5-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole (PubChem CID 53035022) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is 5-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name5-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
PubChem CID53035022
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Name5-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
SMILESCC(C)c1cc(C2CCCN2Cc2cn[nH]c2-c2ccc(F)cc2)on1
InChIInChI=1S/C20H23FN4O/c1-13(2)17-10-19(26-24-17)18-4-3-9-25(18)12-15-11-22-23-20(15)14-5-7-16(21)8-6-14/h5-8,10-11,13,18H,3-4,9,12H2,1-2H3,(H,22,23)
InChIKeyDQNXBNQXKWYAIN-UHFFFAOYSA-N
XLogP4.66
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 ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole?
The IUPAC name of 5-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole (CID 53035022) is 5-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 5-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole?
The canonical SMILES for 5-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole is CC(C)c1cc(C2CCCN2Cc2cn[nH]c2-c2ccc(F)cc2)on1.
What is the InChIKey of 5-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole?
The InChIKey is DQNXBNQXKWYAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c1-13(2)17-10-19(26-24-17)18-4-3-9-25(18)12-15-11-22-23-20(15)14-5-7-16(21)8-6-14/h5-8,10-11,13,18H,3-4,9,12H2,1-2H3,(H,22,23).
What are the key properties of 5-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole?
5-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole has a molecular weight of 354.43 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 53035022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).