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

C16H14N2O3 — CID 63344557

IUPAC1-methoxy-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-2-one
SMILESCOCC(=O)Cc1nc(-c2cccc3ccccc23)no1
InChIInChI=1S/C16H14N2O3/c1-20-10-12(19)9-15-17-16(18-21-15)14-8-4-6-11-5-2-3-7-13(11)14/h2-8H,9-10H2,1H3
InChIKeyZWNCQNOJXJRZFI-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.65
Rot. Bonds5

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

1-methoxy-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-2-one (PubChem CID 63344557) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-methoxy-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-methoxy-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-2-one
PubChem CID63344557
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name1-methoxy-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-2-one
SMILESCOCC(=O)Cc1nc(-c2cccc3ccccc23)no1
InChIInChI=1S/C16H14N2O3/c1-20-10-12(19)9-15-17-16(18-21-15)14-8-4-6-11-5-2-3-7-13(11)14/h2-8H,9-10H2,1H3
InChIKeyZWNCQNOJXJRZFI-UHFFFAOYSA-N
XLogP2.65
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-one
CID 63344511
1-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one
CID 114015496
1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one
CID 63344235
(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
CID 121237656
1-methoxy-3-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63344715
4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63346200
N-[(2-methoxyphenyl)methyl]-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761955
1-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one
CID 113365700
2-methoxy-N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 99639452
1-methoxy-3-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 65143742
N-(2,6-dimethylphenyl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761441
2-methyl-N-[(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 63771665

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-2-one?
The IUPAC name of 1-methoxy-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-2-one (CID 63344557) is 1-methoxy-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-2-one.
What is the SMILES notation for 1-methoxy-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-2-one?
The canonical SMILES for 1-methoxy-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-2-one is COCC(=O)Cc1nc(-c2cccc3ccccc23)no1.
What is the InChIKey of 1-methoxy-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-2-one?
The InChIKey is ZWNCQNOJXJRZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-20-10-12(19)9-15-17-16(18-21-15)14-8-4-6-11-5-2-3-7-13(11)14/h2-8H,9-10H2,1H3.
What are the key properties of 1-methoxy-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-2-one?
1-methoxy-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-2-one has a molecular weight of 282.30 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-2-one is sourced from PubChem (CID 63344557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).