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

C19H21FN4O — CID 50809620

IUPAC4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1C1CCCN1Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C19H21FN4O/c1-12-18(13(2)25-23-12)17-4-3-9-24(17)11-15-10-21-22-19(15)14-5-7-16(20)8-6-14/h5-8,10,17H,3-4,9,11H2,1-2H3,(H,21,22)
InChIKeyYMFYBOWTDLIMQK-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.16
Rot. Bonds4

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

4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 50809620) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID50809620
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1C1CCCN1Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C19H21FN4O/c1-12-18(13(2)25-23-12)17-4-3-9-24(17)11-15-10-21-22-19(15)14-5-7-16(20)8-6-14/h5-8,10,17H,3-4,9,11H2,1-2H3,(H,21,22)
InChIKeyYMFYBOWTDLIMQK-UHFFFAOYSA-N
XLogP4.16
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole (CID 50809620) is 4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1C1CCCN1Cc1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of 4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is YMFYBOWTDLIMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-12-18(13(2)25-23-12)17-4-3-9-24(17)11-15-10-21-22-19(15)14-5-7-16(20)8-6-14/h5-8,10,17H,3-4,9,11H2,1-2H3,(H,21,22).
What are the key properties of 4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole?
4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 340.40 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 50809620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).