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

C17H23N5O3 — CID 91908073

IUPAC(2-ethylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCCC1c1nc(C2CCOCC2)no1
InChIInChI=1S/C17H23N5O3/c1-2-22-14(5-8-18-22)17(23)21-9-3-4-13(21)16-19-15(20-25-16)12-6-10-24-11-7-12/h5,8,12-13H,2-4,6-7,9-11H2,1H3
InChIKeyYXAJYHKXABQKNJ-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.16
Rot. Bonds4

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

(2-ethylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone (PubChem CID 91908073) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
PubChem CID91908073
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name(2-ethylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCCC1c1nc(C2CCOCC2)no1
InChIInChI=1S/C17H23N5O3/c1-2-22-14(5-8-18-22)17(23)21-9-3-4-13(21)16-19-15(20-25-16)12-6-10-24-11-7-12/h5,8,12-13H,2-4,6-7,9-11H2,1H3
InChIKeyYXAJYHKXABQKNJ-UHFFFAOYSA-N
XLogP2.16
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.16
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)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone (CID 91908073) is (2-ethylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone is CCn1nccc1C(=O)N1CCCC1c1nc(C2CCOCC2)no1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone?
The InChIKey is YXAJYHKXABQKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-2-22-14(5-8-18-22)17(23)21-9-3-4-13(21)16-19-15(20-25-16)12-6-10-24-11-7-12/h5,8,12-13H,2-4,6-7,9-11H2,1H3.
What are the key properties of (2-ethylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone?
(2-ethylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone has a molecular weight of 345.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 91908073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).