tert-butyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

C15H17NO3 — CID 10753766

IUPACtert-butyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1onc(-c2ccccc2)c1C(=O)OC(C)(C)C
InChIInChI=1S/C15H17NO3/c1-10-12(14(17)18-15(2,3)4)13(16-19-10)11-8-6-5-7-9-11/h5-9H,1-4H3
InChIKeyNKPHWOZLEFNJGK-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.61
Rot. Bonds2

About tert-butyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

tert-butyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (PubChem CID 10753766) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is tert-butyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
PubChem CID10753766
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Nametert-butyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1onc(-c2ccccc2)c1C(=O)OC(C)(C)C
InChIInChI=1S/C15H17NO3/c1-10-12(14(17)18-15(2,3)4)13(16-19-10)11-8-6-5-7-9-11/h5-9H,1-4H3
InChIKeyNKPHWOZLEFNJGK-UHFFFAOYSA-N
XLogP3.61
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The IUPAC name of tert-butyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (CID 10753766) is tert-butyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for tert-butyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for tert-butyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is Cc1onc(-c2ccccc2)c1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The InChIKey is NKPHWOZLEFNJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-10-12(14(17)18-15(2,3)4)13(16-19-10)11-8-6-5-7-9-11/h5-9H,1-4H3.
What are the key properties of tert-butyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
tert-butyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 10753766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).