bis(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)methanone

C15H24N2O3 — CID 175334723

IUPACbis(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)methanone
SMILESCC(C)(C)C1COC(C(=O)C2=NC(C(C)(C)C)CO2)=N1
InChIInChI=1S/C15H24N2O3/c1-14(2,3)9-7-19-12(16-9)11(18)13-17-10(8-20-13)15(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyKTXMZRMRKNPBPB-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.24
Rot. Bonds2

About bis(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)methanone

bis(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)methanone (PubChem CID 175334723) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is bis(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)methanone.

Molecular Properties

Compound Namebis(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)methanone
PubChem CID175334723
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Namebis(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)methanone
SMILESCC(C)(C)C1COC(C(=O)C2=NC(C(C)(C)C)CO2)=N1
InChIInChI=1S/C15H24N2O3/c1-14(2,3)9-7-19-12(16-9)11(18)13-17-10(8-20-13)15(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyKTXMZRMRKNPBPB-UHFFFAOYSA-N
XLogP2.24
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)methanone?
The IUPAC name of bis(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)methanone (CID 175334723) is bis(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)methanone.
What is the SMILES notation for bis(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)methanone?
The canonical SMILES for bis(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)methanone is CC(C)(C)C1COC(C(=O)C2=NC(C(C)(C)C)CO2)=N1.
What is the InChIKey of bis(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)methanone?
The InChIKey is KTXMZRMRKNPBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-14(2,3)9-7-19-12(16-9)11(18)13-17-10(8-20-13)15(4,5)6/h9-10H,7-8H2,1-6H3.
What are the key properties of bis(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)methanone?
bis(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)methanone has a molecular weight of 280.37 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)methanone is sourced from PubChem (CID 175334723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).