tert-butyl 2-tert-butyl-3-propan-2-yl-3H-1,2-oxazole-4-carboxylate

C15H27NO3 — CID 14970813

IUPACtert-butyl 2-tert-butyl-3-propan-2-yl-3H-1,2-oxazole-4-carboxylate
SMILESCC(C)C1C(C(=O)OC(C)(C)C)=CON1C(C)(C)C
InChIInChI=1S/C15H27NO3/c1-10(2)12-11(13(17)19-15(6,7)8)9-18-16(12)14(3,4)5/h9-10,12H,1-8H3
InChIKeyDVBGMUCDPUTTSX-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.28
Rot. Bonds2

About tert-butyl 2-tert-butyl-3-propan-2-yl-3H-1,2-oxazole-4-carboxylate

tert-butyl 2-tert-butyl-3-propan-2-yl-3H-1,2-oxazole-4-carboxylate (PubChem CID 14970813) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is tert-butyl 2-tert-butyl-3-propan-2-yl-3H-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-tert-butyl-3-propan-2-yl-3H-1,2-oxazole-4-carboxylate
PubChem CID14970813
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nametert-butyl 2-tert-butyl-3-propan-2-yl-3H-1,2-oxazole-4-carboxylate
SMILESCC(C)C1C(C(=O)OC(C)(C)C)=CON1C(C)(C)C
InChIInChI=1S/C15H27NO3/c1-10(2)12-11(13(17)19-15(6,7)8)9-18-16(12)14(3,4)5/h9-10,12H,1-8H3
InChIKeyDVBGMUCDPUTTSX-UHFFFAOYSA-N
XLogP3.28
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-tert-butyl-3-propan-2-yl-3H-1,2-oxazole-4-carboxylate?
The IUPAC name of tert-butyl 2-tert-butyl-3-propan-2-yl-3H-1,2-oxazole-4-carboxylate (CID 14970813) is tert-butyl 2-tert-butyl-3-propan-2-yl-3H-1,2-oxazole-4-carboxylate.
What is the SMILES notation for tert-butyl 2-tert-butyl-3-propan-2-yl-3H-1,2-oxazole-4-carboxylate?
The canonical SMILES for tert-butyl 2-tert-butyl-3-propan-2-yl-3H-1,2-oxazole-4-carboxylate is CC(C)C1C(C(=O)OC(C)(C)C)=CON1C(C)(C)C.
What is the InChIKey of tert-butyl 2-tert-butyl-3-propan-2-yl-3H-1,2-oxazole-4-carboxylate?
The InChIKey is DVBGMUCDPUTTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-10(2)12-11(13(17)19-15(6,7)8)9-18-16(12)14(3,4)5/h9-10,12H,1-8H3.
What are the key properties of tert-butyl 2-tert-butyl-3-propan-2-yl-3H-1,2-oxazole-4-carboxylate?
tert-butyl 2-tert-butyl-3-propan-2-yl-3H-1,2-oxazole-4-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-tert-butyl-3-propan-2-yl-3H-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 14970813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).