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

C17H23N5O3 — CID 91908074

IUPAC(1-ethylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCCC2c2nc(C3CCOCC3)no2)n1
InChIInChI=1S/C17H23N5O3/c1-2-21-9-5-13(19-21)17(23)22-8-3-4-14(22)16-18-15(20-25-16)12-6-10-24-11-7-12/h5,9,12,14H,2-4,6-8,10-11H2,1H3
InChIKeyOHERYJGRGGAFKM-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.16
Rot. Bonds4

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

(1-ethylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone (PubChem CID 91908074) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is (1-ethylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
PubChem CID91908074
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name(1-ethylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCCC2c2nc(C3CCOCC3)no2)n1
InChIInChI=1S/C17H23N5O3/c1-2-21-9-5-13(19-21)17(23)22-8-3-4-14(22)16-18-15(20-25-16)12-6-10-24-11-7-12/h5,9,12,14H,2-4,6-8,10-11H2,1H3
InChIKeyOHERYJGRGGAFKM-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 (1-ethylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (1-ethylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone (CID 91908074) is (1-ethylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone is CCn1ccc(C(=O)N2CCCC2c2nc(C3CCOCC3)no2)n1.
What is the InChIKey of (1-ethylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone?
The InChIKey is OHERYJGRGGAFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-2-21-9-5-13(19-21)17(23)22-8-3-4-14(22)16-18-15(20-25-16)12-6-10-24-11-7-12/h5,9,12,14H,2-4,6-8,10-11H2,1H3.
What are the key properties of (1-ethylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone?
(1-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 (1-ethylpyrazol-3-yl)-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 91908074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).