3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol

C17H18N2O2 — CID 63346107

IUPAC3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol
SMILESCCC(c1nc(-c2cccc3ccccc23)no1)C(C)O
InChIInChI=1S/C17H18N2O2/c1-3-13(11(2)20)17-18-16(19-21-17)15-10-6-8-12-7-4-5-9-14(12)15/h4-11,13,20H,3H2,1-2H3
InChIKeySJKZWKAUSIREDD-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.76
Rot. Bonds4

About 3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol

3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol (PubChem CID 63346107) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol.

Molecular Properties

Compound Name3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol
PubChem CID63346107
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol
SMILESCCC(c1nc(-c2cccc3ccccc23)no1)C(C)O
InChIInChI=1S/C17H18N2O2/c1-3-13(11(2)20)17-18-16(19-21-17)15-10-6-8-12-7-4-5-9-14(12)15/h4-11,13,20H,3H2,1-2H3
InChIKeySJKZWKAUSIREDD-UHFFFAOYSA-N
XLogP3.76
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 94549155
3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 114878919
3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63352229
2-methyl-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62717069
3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol
CID 63345401
3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol
CID 63345490
3-amino-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 107836843
3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63347498
(1S)-3-amino-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 107836841
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63345437
4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63346200
3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 65198120

Frequently Asked Questions

What is the IUPAC name of 3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol?
The IUPAC name of 3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol (CID 63346107) is 3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol.
What is the SMILES notation for 3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol?
The canonical SMILES for 3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol is CCC(c1nc(-c2cccc3ccccc23)no1)C(C)O.
What is the InChIKey of 3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol?
The InChIKey is SJKZWKAUSIREDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-3-13(11(2)20)17-18-16(19-21-17)15-10-6-8-12-7-4-5-9-14(12)15/h4-11,13,20H,3H2,1-2H3.
What are the key properties of 3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol?
3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol has a molecular weight of 282.34 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol is sourced from PubChem (CID 63346107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).