5-tert-butyl-3-propyl-4,5-dihydro-1,2-oxazole

C10H19NO — CID 58989866

IUPAC5-tert-butyl-3-propyl-4,5-dihydro-1,2-oxazole
SMILESCCCC1=NOC(C(C)(C)C)C1
InChIInChI=1S/C10H19NO/c1-5-6-8-7-9(12-11-8)10(2,3)4/h9H,5-7H2,1-4H3
InChIKeyLZCMEOKETGBYSI-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.98
Rot. Bonds2

About 5-tert-butyl-3-propyl-4,5-dihydro-1,2-oxazole

5-tert-butyl-3-propyl-4,5-dihydro-1,2-oxazole (PubChem CID 58989866) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 5-tert-butyl-3-propyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-tert-butyl-3-propyl-4,5-dihydro-1,2-oxazole
PubChem CID58989866
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name5-tert-butyl-3-propyl-4,5-dihydro-1,2-oxazole
SMILESCCCC1=NOC(C(C)(C)C)C1
InChIInChI=1S/C10H19NO/c1-5-6-8-7-9(12-11-8)10(2,3)4/h9H,5-7H2,1-4H3
InChIKeyLZCMEOKETGBYSI-UHFFFAOYSA-N
XLogP2.98
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-propyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-tert-butyl-3-propyl-4,5-dihydro-1,2-oxazole (CID 58989866) is 5-tert-butyl-3-propyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-tert-butyl-3-propyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-tert-butyl-3-propyl-4,5-dihydro-1,2-oxazole is CCCC1=NOC(C(C)(C)C)C1.
What is the InChIKey of 5-tert-butyl-3-propyl-4,5-dihydro-1,2-oxazole?
The InChIKey is LZCMEOKETGBYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-6-8-7-9(12-11-8)10(2,3)4/h9H,5-7H2,1-4H3.
What are the key properties of 5-tert-butyl-3-propyl-4,5-dihydro-1,2-oxazole?
5-tert-butyl-3-propyl-4,5-dihydro-1,2-oxazole has a molecular weight of 169.27 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-propyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 58989866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).