4-tert-butyl-5-cyclopropyl-1,2-oxazole

C10H15NO — CID 166500186

IUPAC4-tert-butyl-5-cyclopropyl-1,2-oxazole
SMILESCC(C)(C)c1cnoc1C1CC1
InChIInChI=1S/C10H15NO/c1-10(2,3)8-6-11-12-9(8)7-4-5-7/h6-7H,4-5H2,1-3H3
InChIKeyAUTCMFMNOSMOMJ-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.85
Rot. Bonds1

About 4-tert-butyl-5-cyclopropyl-1,2-oxazole

4-tert-butyl-5-cyclopropyl-1,2-oxazole (PubChem CID 166500186) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-tert-butyl-5-cyclopropyl-1,2-oxazole.

Molecular Properties

Compound Name4-tert-butyl-5-cyclopropyl-1,2-oxazole
PubChem CID166500186
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4-tert-butyl-5-cyclopropyl-1,2-oxazole
SMILESCC(C)(C)c1cnoc1C1CC1
InChIInChI=1S/C10H15NO/c1-10(2,3)8-6-11-12-9(8)7-4-5-7/h6-7H,4-5H2,1-3H3
InChIKeyAUTCMFMNOSMOMJ-UHFFFAOYSA-N
XLogP2.85
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-cyclopropyl-1,2-oxazole?
The IUPAC name of 4-tert-butyl-5-cyclopropyl-1,2-oxazole (CID 166500186) is 4-tert-butyl-5-cyclopropyl-1,2-oxazole.
What is the SMILES notation for 4-tert-butyl-5-cyclopropyl-1,2-oxazole?
The canonical SMILES for 4-tert-butyl-5-cyclopropyl-1,2-oxazole is CC(C)(C)c1cnoc1C1CC1.
What is the InChIKey of 4-tert-butyl-5-cyclopropyl-1,2-oxazole?
The InChIKey is AUTCMFMNOSMOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-10(2,3)8-6-11-12-9(8)7-4-5-7/h6-7H,4-5H2,1-3H3.
What are the key properties of 4-tert-butyl-5-cyclopropyl-1,2-oxazole?
4-tert-butyl-5-cyclopropyl-1,2-oxazole has a molecular weight of 165.24 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-cyclopropyl-1,2-oxazole is sourced from PubChem (CID 166500186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).