[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl cyclopropanecarboxylate

C15H15NO3 — CID 16869408

IUPAC[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl cyclopropanecarboxylate
SMILESCc1ccc(-c2cc(COC(=O)C3CC3)no2)cc1
InChIInChI=1S/C15H15NO3/c1-10-2-4-11(5-3-10)14-8-13(16-19-14)9-18-15(17)12-6-7-12/h2-5,8,12H,6-7,9H2,1H3
InChIKeyDRXORQOPOHEEQX-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.10
Rot. Bonds4

About [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl cyclopropanecarboxylate

[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl cyclopropanecarboxylate (PubChem CID 16869408) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl cyclopropanecarboxylate.

Molecular Properties

Compound Name[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl cyclopropanecarboxylate
PubChem CID16869408
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl cyclopropanecarboxylate
SMILESCc1ccc(-c2cc(COC(=O)C3CC3)no2)cc1
InChIInChI=1S/C15H15NO3/c1-10-2-4-11(5-3-10)14-8-13(16-19-14)9-18-15(17)12-6-7-12/h2-5,8,12H,6-7,9H2,1H3
InChIKeyDRXORQOPOHEEQX-UHFFFAOYSA-N
XLogP3.10
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl cyclopropanecarboxylate?
The IUPAC name of [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl cyclopropanecarboxylate (CID 16869408) is [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl cyclopropanecarboxylate.
What is the SMILES notation for [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl cyclopropanecarboxylate?
The canonical SMILES for [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl cyclopropanecarboxylate is Cc1ccc(-c2cc(COC(=O)C3CC3)no2)cc1.
What is the InChIKey of [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl cyclopropanecarboxylate?
The InChIKey is DRXORQOPOHEEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-2-4-11(5-3-10)14-8-13(16-19-14)9-18-15(17)12-6-7-12/h2-5,8,12H,6-7,9H2,1H3.
What are the key properties of [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl cyclopropanecarboxylate?
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl cyclopropanecarboxylate has a molecular weight of 257.29 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl cyclopropanecarboxylate is sourced from PubChem (CID 16869408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).