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

C17H21FN2O — CID 50808668

IUPAC5-ethyl-4-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
SMILESCCc1onc(C)c1C1CCCN1Cc1ccccc1F
InChIInChI=1S/C17H21FN2O/c1-3-16-17(12(2)19-21-16)15-9-6-10-20(15)11-13-7-4-5-8-14(13)18/h4-5,7-8,15H,3,6,9-11H2,1-2H3
InChIKeyFKWWIBFCGZYWFU-UHFFFAOYSA-N
MW288.37 g/mol
LogP4.02
Rot. Bonds4

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

5-ethyl-4-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole (PubChem CID 50808668) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 5-ethyl-4-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-ethyl-4-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
PubChem CID50808668
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name5-ethyl-4-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
SMILESCCc1onc(C)c1C1CCCN1Cc1ccccc1F
InChIInChI=1S/C17H21FN2O/c1-3-16-17(12(2)19-21-16)15-9-6-10-20(15)11-13-7-4-5-8-14(13)18/h4-5,7-8,15H,3,6,9-11H2,1-2H3
InChIKeyFKWWIBFCGZYWFU-UHFFFAOYSA-N
XLogP4.02
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-ethyl-4-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole (CID 50808668) is 5-ethyl-4-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-ethyl-4-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-ethyl-4-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole is CCc1onc(C)c1C1CCCN1Cc1ccccc1F.
What is the InChIKey of 5-ethyl-4-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole?
The InChIKey is FKWWIBFCGZYWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-3-16-17(12(2)19-21-16)15-9-6-10-20(15)11-13-7-4-5-8-14(13)18/h4-5,7-8,15H,3,6,9-11H2,1-2H3.
What are the key properties of 5-ethyl-4-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole?
5-ethyl-4-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole has a molecular weight of 288.37 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 50808668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).