benzyl 5-tert-butyl-1,3-oxazole-4-carboxylate

C15H17NO3 — CID 167713532

IUPACbenzyl 5-tert-butyl-1,3-oxazole-4-carboxylate
SMILESCC(C)(C)c1ocnc1C(=O)OCc1ccccc1
InChIInChI=1S/C15H17NO3/c1-15(2,3)13-12(16-10-19-13)14(17)18-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyHXMSZYSUMSDVLW-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.33
Rot. Bonds3

About benzyl 5-tert-butyl-1,3-oxazole-4-carboxylate

benzyl 5-tert-butyl-1,3-oxazole-4-carboxylate (PubChem CID 167713532) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is benzyl 5-tert-butyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namebenzyl 5-tert-butyl-1,3-oxazole-4-carboxylate
PubChem CID167713532
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Namebenzyl 5-tert-butyl-1,3-oxazole-4-carboxylate
SMILESCC(C)(C)c1ocnc1C(=O)OCc1ccccc1
InChIInChI=1S/C15H17NO3/c1-15(2,3)13-12(16-10-19-13)14(17)18-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyHXMSZYSUMSDVLW-UHFFFAOYSA-N
XLogP3.33
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 5-tert-butyl-1,3-oxazole-4-carboxylate?
The IUPAC name of benzyl 5-tert-butyl-1,3-oxazole-4-carboxylate (CID 167713532) is benzyl 5-tert-butyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for benzyl 5-tert-butyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for benzyl 5-tert-butyl-1,3-oxazole-4-carboxylate is CC(C)(C)c1ocnc1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 5-tert-butyl-1,3-oxazole-4-carboxylate?
The InChIKey is HXMSZYSUMSDVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-15(2,3)13-12(16-10-19-13)14(17)18-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3.
What are the key properties of benzyl 5-tert-butyl-1,3-oxazole-4-carboxylate?
benzyl 5-tert-butyl-1,3-oxazole-4-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 5-tert-butyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 167713532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).