[(2R)-2-(4-methoxyphenyl)propyl] 5-methyl-1,3-oxazole-4-carboxylate

C15H17NO4 — CID 97146324

IUPAC[(2R)-2-(4-methoxyphenyl)propyl] 5-methyl-1,3-oxazole-4-carboxylate
SMILESCOc1ccc([C@@H](C)COC(=O)c2ncoc2C)cc1
InChIInChI=1S/C15H17NO4/c1-10(12-4-6-13(18-3)7-5-12)8-19-15(17)14-11(2)20-9-16-14/h4-7,9-10H,8H2,1-3H3/t10-/m0/s1
InChIKeyZWQULEJTEBGEHJ-JTQLQIEISA-N
MW275.30 g/mol
LogP2.95
Rot. Bonds5

About [(2R)-2-(4-methoxyphenyl)propyl] 5-methyl-1,3-oxazole-4-carboxylate

[(2R)-2-(4-methoxyphenyl)propyl] 5-methyl-1,3-oxazole-4-carboxylate (PubChem CID 97146324) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is [(2R)-2-(4-methoxyphenyl)propyl] 5-methyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Name[(2R)-2-(4-methoxyphenyl)propyl] 5-methyl-1,3-oxazole-4-carboxylate
PubChem CID97146324
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name[(2R)-2-(4-methoxyphenyl)propyl] 5-methyl-1,3-oxazole-4-carboxylate
SMILESCOc1ccc([C@@H](C)COC(=O)c2ncoc2C)cc1
InChIInChI=1S/C15H17NO4/c1-10(12-4-6-13(18-3)7-5-12)8-19-15(17)14-11(2)20-9-16-14/h4-7,9-10H,8H2,1-3H3/t10-/m0/s1
InChIKeyZWQULEJTEBGEHJ-JTQLQIEISA-N
XLogP2.95
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-methoxyphenyl)propyl] 5-methyl-1,3-oxazole-4-carboxylate?
The IUPAC name of [(2R)-2-(4-methoxyphenyl)propyl] 5-methyl-1,3-oxazole-4-carboxylate (CID 97146324) is [(2R)-2-(4-methoxyphenyl)propyl] 5-methyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for [(2R)-2-(4-methoxyphenyl)propyl] 5-methyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for [(2R)-2-(4-methoxyphenyl)propyl] 5-methyl-1,3-oxazole-4-carboxylate is COc1ccc([C@@H](C)COC(=O)c2ncoc2C)cc1.
What is the InChIKey of [(2R)-2-(4-methoxyphenyl)propyl] 5-methyl-1,3-oxazole-4-carboxylate?
The InChIKey is ZWQULEJTEBGEHJ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17NO4/c1-10(12-4-6-13(18-3)7-5-12)8-19-15(17)14-11(2)20-9-16-14/h4-7,9-10H,8H2,1-3H3/t10-/m0/s1.
What are the key properties of [(2R)-2-(4-methoxyphenyl)propyl] 5-methyl-1,3-oxazole-4-carboxylate?
[(2R)-2-(4-methoxyphenyl)propyl] 5-methyl-1,3-oxazole-4-carboxylate has a molecular weight of 275.30 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-methoxyphenyl)propyl] 5-methyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 97146324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).