5-tert-butyl-4,5-dihydro-1,3-oxazole

C7H13NO — CID 23383502

IUPAC5-tert-butyl-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)C1CN=CO1
InChIInChI=1S/C7H13NO/c1-7(2,3)6-4-8-5-9-6/h5-6H,4H2,1-3H3
InChIKeyBQHYRKFFUPZFDC-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.46
Rot. Bonds

About 5-tert-butyl-4,5-dihydro-1,3-oxazole

5-tert-butyl-4,5-dihydro-1,3-oxazole (PubChem CID 23383502) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 5-tert-butyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-4,5-dihydro-1,3-oxazole
PubChem CID23383502
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name5-tert-butyl-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)C1CN=CO1
InChIInChI=1S/C7H13NO/c1-7(2,3)6-4-8-5-9-6/h5-6H,4H2,1-3H3
InChIKeyBQHYRKFFUPZFDC-UHFFFAOYSA-N
XLogP1.46
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 5-tert-butyl-4,5-dihydro-1,3-oxazole (CID 23383502) is 5-tert-butyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-4,5-dihydro-1,3-oxazole is CC(C)(C)C1CN=CO1.
What is the InChIKey of 5-tert-butyl-4,5-dihydro-1,3-oxazole?
The InChIKey is BQHYRKFFUPZFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-7(2,3)6-4-8-5-9-6/h5-6H,4H2,1-3H3.
What are the key properties of 5-tert-butyl-4,5-dihydro-1,3-oxazole?
5-tert-butyl-4,5-dihydro-1,3-oxazole has a molecular weight of 127.19 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 23383502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).