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

C12H12N2O3 — CID 44542467

IUPACmethyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate
SMILESCOC(=O)CCc1nc(-c2ccccc2)no1
InChIInChI=1S/C12H12N2O3/c1-16-11(15)8-7-10-13-12(14-17-10)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyLKSFAERIDQFYIR-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.84
Rot. Bonds4

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

methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate (PubChem CID 44542467) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate
PubChem CID44542467
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Namemethyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate
SMILESCOC(=O)CCc1nc(-c2ccccc2)no1
InChIInChI=1S/C12H12N2O3/c1-16-11(15)8-7-10-13-12(14-17-10)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyLKSFAERIDQFYIR-UHFFFAOYSA-N
XLogP1.84
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-Phenyl-1,2,4-oxadiazol-5-yl)propionic acid
CID 665968
Phenylmethyloxadiazole
CID 98806
3-[3-(2-Chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 667176
4-(3-Phenyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 667252
3-Phenyl-1,2,4-oxadiazole-5-acetic acid
CID 7017713
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic Acid
CID 7130711
3-[3-(4-Bromophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 13306119
Sodium perchlorate hydrate
CID 270750
5-Ethenyl-3-phenyl-1,2,4-oxadiazole
CID 14373585
4-(3-Phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 1966104
N-(2-methylpropyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 2002505
3-(3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl)propanoic acid
CID 666122

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate?
The IUPAC name of methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate (CID 44542467) is methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate.
What is the SMILES notation for methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate?
The canonical SMILES for methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate is COC(=O)CCc1nc(-c2ccccc2)no1.
What is the InChIKey of methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate?
The InChIKey is LKSFAERIDQFYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-16-11(15)8-7-10-13-12(14-17-10)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3.
What are the key properties of methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate?
methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate has a molecular weight of 232.24 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate is sourced from PubChem (CID 44542467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).