8-(5-Methyl-2-phenyl-oxazol-4-yl)-2-pyrrol-1-yl-oct-4-ynoic acid methyl ester

HCID 12093271
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Basic information

Standard SMILES
COC(=O)C(CC#CCCCc1nc(-c2ccccc2)oc1C)n1cccc1
InChIKey
VGTROKLFABKPEB-UHFFFAOYSA-N
Molecular formula
C23H24N2O3
Average molar mass
376.4 g/mol

Names & identifiers

Preferred name
8-(5-Methyl-2-phenyl-oxazol-4-yl)-2-pyrrol-1-yl-oct-4-ynoic acid methyl ester
IUPAC
methyl 8-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2-pyrrol-1-yloct-4-ynoate

Names & synonyms

SCHEMBL6640864VGTROKLFABKPEB-UHFFFAOYSA-N8-(5-methyl-2-phenyl-oxazol-4-yl)-2-pyrrol-1-yl-oct-4-ynoic acid methyl ester

Database identifiers

PubChem CID
12093271

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
57.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
28

Related reactions

1 records
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Compound notes

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