6-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]naphthalen-2-ol

C16H15N3O2 — CID 137054165

IUPAC6-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]naphthalen-2-ol
SMILESOc1ccc2cc(-c3noc([C@@H]4CCCN4)n3)ccc2c1
InChIInChI=1S/C16H15N3O2/c20-13-6-5-10-8-12(4-3-11(10)9-13)15-18-16(21-19-15)14-2-1-7-17-14/h3-6,8-9,14,17,20H,1-2,7H2/t14-/m0/s1
InChIKeyMCPXUFVHRCVGJJ-AWEZNQCLSA-N
MW281.31 g/mol
LogP3.02
Rot. Bonds2

About 6-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]naphthalen-2-ol

6-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]naphthalen-2-ol (PubChem CID 137054165) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 6-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]naphthalen-2-ol.

Molecular Properties

Compound Name6-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]naphthalen-2-ol
PubChem CID137054165
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name6-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]naphthalen-2-ol
SMILESOc1ccc2cc(-c3noc([C@@H]4CCCN4)n3)ccc2c1
InChIInChI=1S/C16H15N3O2/c20-13-6-5-10-8-12(4-3-11(10)9-13)15-18-16(21-19-15)14-2-1-7-17-14/h3-6,8-9,14,17,20H,1-2,7H2/t14-/m0/s1
InChIKeyMCPXUFVHRCVGJJ-AWEZNQCLSA-N
XLogP3.02
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-naphthalen-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900526
4-(5-piperidin-2-yl-1,2,4-oxadiazol-3-yl)phenol
CID 135973873
2-fluoro-4-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]phenol
CID 136810089
3-(4-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 3998388
4-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)-2-(trifluoromethyl)phenol
CID 136967991
2,6-dimethyl-4-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]phenol
CID 136746254
4-[5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 136896348
2,6-dimethyl-4-[5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenol
CID 136854683
3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 43627431
3-(3,4-dimethoxyphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 93251332
5-[(2R)-piperidin-2-yl]-3-quinoxalin-6-yl-1,2,4-oxadiazole
CID 104914946
3-(3-bromo-4-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 106950830

Frequently Asked Questions

What is the IUPAC name of 6-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]naphthalen-2-ol?
The IUPAC name of 6-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]naphthalen-2-ol (CID 137054165) is 6-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]naphthalen-2-ol.
What is the SMILES notation for 6-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]naphthalen-2-ol?
The canonical SMILES for 6-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]naphthalen-2-ol is Oc1ccc2cc(-c3noc([C@@H]4CCCN4)n3)ccc2c1.
What is the InChIKey of 6-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]naphthalen-2-ol?
The InChIKey is MCPXUFVHRCVGJJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-13-6-5-10-8-12(4-3-11(10)9-13)15-18-16(21-19-15)14-2-1-7-17-14/h3-6,8-9,14,17,20H,1-2,7H2/t14-/m0/s1.
What are the key properties of 6-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]naphthalen-2-ol?
6-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]naphthalen-2-ol has a molecular weight of 281.31 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]naphthalen-2-ol is sourced from PubChem (CID 137054165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).