4-[(2S)-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-ol

C20H23N3O2 — CID 155526101

IUPAC4-[(2S)-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-ol
SMILESOCCCCN1CCC[C@H]1c1nc(-c2ccc3ccccc3c2)no1
InChIInChI=1S/C20H23N3O2/c24-13-4-3-11-23-12-5-8-18(23)20-21-19(22-25-20)17-10-9-15-6-1-2-7-16(15)14-17/h1-2,6-7,9-10,14,18,24H,3-5,8,11-13H2/t18-/m0/s1
InChIKeyOAEKFFBOCFTHPQ-SFHVURJKSA-N
MW337.42 g/mol
LogP3.80
Rot. Bonds6

About 4-[(2S)-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-ol

4-[(2S)-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-ol (PubChem CID 155526101) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-[(2S)-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-ol.

Molecular Properties

Compound Name4-[(2S)-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-ol
PubChem CID155526101
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name4-[(2S)-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-ol
SMILESOCCCCN1CCC[C@H]1c1nc(-c2ccc3ccccc3c2)no1
InChIInChI=1S/C20H23N3O2/c24-13-4-3-11-23-12-5-8-18(23)20-21-19(22-25-20)17-10-9-15-6-1-2-7-16(15)14-17/h1-2,6-7,9-10,14,18,24H,3-5,8,11-13H2/t18-/m0/s1
InChIKeyOAEKFFBOCFTHPQ-SFHVURJKSA-N
XLogP3.80
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-ol?
The IUPAC name of 4-[(2S)-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-ol (CID 155526101) is 4-[(2S)-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-ol.
What is the SMILES notation for 4-[(2S)-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-ol?
The canonical SMILES for 4-[(2S)-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-ol is OCCCCN1CCC[C@H]1c1nc(-c2ccc3ccccc3c2)no1.
What is the InChIKey of 4-[(2S)-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-ol?
The InChIKey is OAEKFFBOCFTHPQ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-13-4-3-11-23-12-5-8-18(23)20-21-19(22-25-20)17-10-9-15-6-1-2-7-16(15)14-17/h1-2,6-7,9-10,14,18,24H,3-5,8,11-13H2/t18-/m0/s1.
What are the key properties of 4-[(2S)-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-ol?
4-[(2S)-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-ol has a molecular weight of 337.42 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-ol is sourced from PubChem (CID 155526101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).