(2-ethylpyrazol-3-yl)-[3-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone

C19H20FN5O3 — CID 91909844

IUPAC(2-ethylpyrazol-3-yl)-[3-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCC(c2noc(COc3ccc(F)cc3)n2)C1
InChIInChI=1S/C19H20FN5O3/c1-2-25-16(7-9-21-25)19(26)24-10-8-13(11-24)18-22-17(28-23-18)12-27-15-5-3-14(20)4-6-15/h3-7,9,13H,2,8,10-12H2,1H3
InChIKeyVCXBGJDEUOMHPD-UHFFFAOYSA-N
MW385.40 g/mol
LogP2.63
Rot. Bonds6

About (2-ethylpyrazol-3-yl)-[3-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone

(2-ethylpyrazol-3-yl)-[3-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone (PubChem CID 91909844) has the molecular formula C19H20FN5O3 and a molecular weight of 385.40 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-[3-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-[3-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
PubChem CID91909844
Molecular FormulaC19H20FN5O3
Molecular Weight385.40 g/mol
Exact Mass385.16
IUPAC Name(2-ethylpyrazol-3-yl)-[3-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCC(c2noc(COc3ccc(F)cc3)n2)C1
InChIInChI=1S/C19H20FN5O3/c1-2-25-16(7-9-21-25)19(26)24-10-8-13(11-24)18-22-17(28-23-18)12-27-15-5-3-14(20)4-6-15/h3-7,9,13H,2,8,10-12H2,1H3
InChIKeyVCXBGJDEUOMHPD-UHFFFAOYSA-N
XLogP2.63
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-[3-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-[3-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone (CID 91909844) is (2-ethylpyrazol-3-yl)-[3-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-[3-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-[3-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone is CCn1nccc1C(=O)N1CCC(c2noc(COc3ccc(F)cc3)n2)C1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-[3-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone?
The InChIKey is VCXBGJDEUOMHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O3/c1-2-25-16(7-9-21-25)19(26)24-10-8-13(11-24)18-22-17(28-23-18)12-27-15-5-3-14(20)4-6-15/h3-7,9,13H,2,8,10-12H2,1H3.
What are the key properties of (2-ethylpyrazol-3-yl)-[3-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone?
(2-ethylpyrazol-3-yl)-[3-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone has a molecular weight of 385.40 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-[3-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 91909844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).