tert-butyl 3-phenyl-5H-1,2-oxazole-2-carboxylate

C14H17NO3 — CID 134866769

IUPACtert-butyl 3-phenyl-5H-1,2-oxazole-2-carboxylate
SMILESCC(C)(C)OC(=O)N1OCC=C1c1ccccc1
InChIInChI=1S/C14H17NO3/c1-14(2,3)18-13(16)15-12(9-10-17-15)11-7-5-4-6-8-11/h4-9H,10H2,1-3H3
InChIKeyAXLAKPMWBVRRGQ-UHFFFAOYSA-N
MW247.29 g/mol
LogP3.21
Rot. Bonds1

About tert-butyl 3-phenyl-5H-1,2-oxazole-2-carboxylate

tert-butyl 3-phenyl-5H-1,2-oxazole-2-carboxylate (PubChem CID 134866769) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is tert-butyl 3-phenyl-5H-1,2-oxazole-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-phenyl-5H-1,2-oxazole-2-carboxylate
PubChem CID134866769
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Nametert-butyl 3-phenyl-5H-1,2-oxazole-2-carboxylate
SMILESCC(C)(C)OC(=O)N1OCC=C1c1ccccc1
InChIInChI=1S/C14H17NO3/c1-14(2,3)18-13(16)15-12(9-10-17-15)11-7-5-4-6-8-11/h4-9H,10H2,1-3H3
InChIKeyAXLAKPMWBVRRGQ-UHFFFAOYSA-N
XLogP3.21
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-phenyl-5H-1,2-oxazole-2-carboxylate?
The IUPAC name of tert-butyl 3-phenyl-5H-1,2-oxazole-2-carboxylate (CID 134866769) is tert-butyl 3-phenyl-5H-1,2-oxazole-2-carboxylate.
What is the SMILES notation for tert-butyl 3-phenyl-5H-1,2-oxazole-2-carboxylate?
The canonical SMILES for tert-butyl 3-phenyl-5H-1,2-oxazole-2-carboxylate is CC(C)(C)OC(=O)N1OCC=C1c1ccccc1.
What is the InChIKey of tert-butyl 3-phenyl-5H-1,2-oxazole-2-carboxylate?
The InChIKey is AXLAKPMWBVRRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-14(2,3)18-13(16)15-12(9-10-17-15)11-7-5-4-6-8-11/h4-9H,10H2,1-3H3.
What are the key properties of tert-butyl 3-phenyl-5H-1,2-oxazole-2-carboxylate?
tert-butyl 3-phenyl-5H-1,2-oxazole-2-carboxylate has a molecular weight of 247.29 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-phenyl-5H-1,2-oxazole-2-carboxylate is sourced from PubChem (CID 134866769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).