4-methoxy-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]butanoic acid

C16H19N3O5 — CID 120703097

IUPAC4-methoxy-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]butanoic acid
SMILESCOCCC(NC(=O)CCc1nnc(-c2ccccc2)o1)C(=O)O
InChIInChI=1S/C16H19N3O5/c1-23-10-9-12(16(21)22)17-13(20)7-8-14-18-19-15(24-14)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,17,20)(H,21,22)
InChIKeyWLYYKEDQNNIUMY-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.28
Rot. Bonds9

About 4-methoxy-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]butanoic acid

4-methoxy-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]butanoic acid (PubChem CID 120703097) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is 4-methoxy-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]butanoic acid
PubChem CID120703097
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name4-methoxy-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]butanoic acid
SMILESCOCCC(NC(=O)CCc1nnc(-c2ccccc2)o1)C(=O)O
InChIInChI=1S/C16H19N3O5/c1-23-10-9-12(16(21)22)17-13(20)7-8-14-18-19-15(24-14)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,17,20)(H,21,22)
InChIKeyWLYYKEDQNNIUMY-UHFFFAOYSA-N
XLogP1.28
TPSA114.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-butan-2-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51217058
N-[1-(2-methoxyphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 43017189
(2R)-N,4-dimethyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanamide
CID 94172403
N-(1-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 24547864
N-(2-methoxyethyl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334282
4-methoxy-2-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]butanoic acid
CID 120702245
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 46478919
N-(1-hydroxypropan-2-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
CID 110890211
N-[1-(2,4-difluorophenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 43017196
N-ethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 46249412
N-(2-methoxy-5-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 29206098
N-[1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 24516334

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]butanoic acid?
The IUPAC name of 4-methoxy-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]butanoic acid (CID 120703097) is 4-methoxy-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]butanoic acid is COCCC(NC(=O)CCc1nnc(-c2ccccc2)o1)C(=O)O.
What is the InChIKey of 4-methoxy-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]butanoic acid?
The InChIKey is WLYYKEDQNNIUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-23-10-9-12(16(21)22)17-13(20)7-8-14-18-19-15(24-14)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,17,20)(H,21,22).
What are the key properties of 4-methoxy-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]butanoic acid?
4-methoxy-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]butanoic acid has a molecular weight of 333.34 g/mol, XLogP of 1.28, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]butanoic acid is sourced from PubChem (CID 120703097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).