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

C17H16N2O2 — CID 63344511

IUPAC1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-one
SMILESCCCC(=O)Cc1nc(-c2cccc3ccccc23)no1
InChIInChI=1S/C17H16N2O2/c1-2-6-13(20)11-16-18-17(19-21-16)15-10-5-8-12-7-3-4-9-14(12)15/h3-5,7-10H,2,6,11H2,1H3
InChIKeyZAORUBUZWPBHLD-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.80
Rot. Bonds5

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

1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-one (PubChem CID 63344511) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-one.

Molecular Properties

Compound Name1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-one
PubChem CID63344511
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-one
SMILESCCCC(=O)Cc1nc(-c2cccc3ccccc23)no1
InChIInChI=1S/C17H16N2O2/c1-2-6-13(20)11-16-18-17(19-21-16)15-10-5-8-12-7-3-4-9-14(12)15/h3-5,7-10H,2,6,11H2,1H3
InChIKeyZAORUBUZWPBHLD-UHFFFAOYSA-N
XLogP3.80
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-2-one
CID 63344557
N-[(2S)-butan-2-yl]-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761242
N-(2,6-dimethylphenyl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761441
1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 63344754
(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
CID 121237656
N-(2-methylphenyl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761406
4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63346200
1-(3-benzyl-1,2,4-oxadiazol-5-yl)pentan-2-one
CID 63346618
2-methyl-N-[(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 63771665
1-(4-methylpiperidin-1-yl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 100761827
N-benzhydryl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100762045
N-[(2-methoxyphenyl)methyl]-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761955

Frequently Asked Questions

What is the IUPAC name of 1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-one?
The IUPAC name of 1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-one (CID 63344511) is 1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-one.
What is the SMILES notation for 1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-one?
The canonical SMILES for 1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-one is CCCC(=O)Cc1nc(-c2cccc3ccccc23)no1.
What is the InChIKey of 1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-one?
The InChIKey is ZAORUBUZWPBHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-2-6-13(20)11-16-18-17(19-21-16)15-10-5-8-12-7-3-4-9-14(12)15/h3-5,7-10H,2,6,11H2,1H3.
What are the key properties of 1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-one?
1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-one has a molecular weight of 280.33 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-one is sourced from PubChem (CID 63344511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).