1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone

C16H23N5O2 — CID 95780530

IUPAC1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
SMILESCCc1nc([C@@H]2CCCN2C(=O)Cc2ccn(C(C)C)n2)no1
InChIInChI=1S/C16H23N5O2/c1-4-14-17-16(19-23-14)13-6-5-8-20(13)15(22)10-12-7-9-21(18-12)11(2)3/h7,9,11,13H,4-6,8,10H2,1-3H3/t13-/m0/s1
InChIKeyFPBLAGZJDHSHDB-ZDUSSCGKSA-N
MW317.39 g/mol
LogP2.32
Rot. Bonds5

About 1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone

1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone (PubChem CID 95780530) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
PubChem CID95780530
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
SMILESCCc1nc([C@@H]2CCCN2C(=O)Cc2ccn(C(C)C)n2)no1
InChIInChI=1S/C16H23N5O2/c1-4-14-17-16(19-23-14)13-6-5-8-20(13)15(22)10-12-7-9-21(18-12)11(2)3/h7,9,11,13H,4-6,8,10H2,1-3H3/t13-/m0/s1
InChIKeyFPBLAGZJDHSHDB-ZDUSSCGKSA-N
XLogP2.32
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The IUPAC name of 1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone (CID 95780530) is 1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone is CCc1nc([C@@H]2CCCN2C(=O)Cc2ccn(C(C)C)n2)no1.
What is the InChIKey of 1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The InChIKey is FPBLAGZJDHSHDB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-4-14-17-16(19-23-14)13-6-5-8-20(13)15(22)10-12-7-9-21(18-12)11(2)3/h7,9,11,13H,4-6,8,10H2,1-3H3/t13-/m0/s1.
What are the key properties of 1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone has a molecular weight of 317.39 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone is sourced from PubChem (CID 95780530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).