methyl 3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propanoate

C16H14N2O3 — CID 44543077

IUPACmethyl 3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propanoate
SMILESCOC(=O)CCc1nc(-c2ccc3ccccc3c2)no1
InChIInChI=1S/C16H14N2O3/c1-20-15(19)9-8-14-17-16(18-21-14)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10H,8-9H2,1H3
InChIKeyVONYVUPJXSBDMX-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.00
Rot. Bonds4

About methyl 3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propanoate

methyl 3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propanoate (PubChem CID 44543077) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl 3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propanoate
PubChem CID44543077
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Namemethyl 3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propanoate
SMILESCOC(=O)CCc1nc(-c2ccc3ccccc3c2)no1
InChIInChI=1S/C16H14N2O3/c1-20-15(19)9-8-14-17-16(18-21-14)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10H,8-9H2,1H3
InChIKeyVONYVUPJXSBDMX-UHFFFAOYSA-N
XLogP3.00
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 22343201
methyl 3-[3-[4-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanoate
CID 22343336
methyl 4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyloxy]benzoate
CID 9192156
[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate
CID 46826635
(4-chlorophenyl) 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 24592474
N-naphthalen-2-yl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9191876
(4-fluorophenyl) 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 24592484
2-methoxy-N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 63771663
methyl 3-[benzyl-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]propanoate
CID 55513095
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpropanamide
CID 100760326
(2,6-dimethylphenyl) 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate
CID 9192024
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(naphthalen-1-ylmethyl)propanamide
CID 100761177

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propanoate?
The IUPAC name of methyl 3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propanoate (CID 44543077) is methyl 3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propanoate.
What is the SMILES notation for methyl 3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propanoate?
The canonical SMILES for methyl 3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propanoate is COC(=O)CCc1nc(-c2ccc3ccccc3c2)no1.
What is the InChIKey of methyl 3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propanoate?
The InChIKey is VONYVUPJXSBDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-20-15(19)9-8-14-17-16(18-21-14)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10H,8-9H2,1H3.
What are the key properties of methyl 3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propanoate?
methyl 3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propanoate has a molecular weight of 282.30 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propanoate is sourced from PubChem (CID 44543077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).