2-tert-butyl-5-(2,2-difluorocyclopropyl)-1,3-oxazole

C10H13F2NO — CID 57181698

IUPAC2-tert-butyl-5-(2,2-difluorocyclopropyl)-1,3-oxazole
SMILESCC(C)(C)c1ncc(C2CC2(F)F)o1
InChIInChI=1S/C10H13F2NO/c1-9(2,3)8-13-5-7(14-8)6-4-10(6,11)12/h5-6H,4H2,1-3H3
InChIKeyMTJRHZHPWAXIDI-UHFFFAOYSA-N
MW201.22 g/mol
LogP3.09
Rot. Bonds1

About 2-tert-butyl-5-(2,2-difluorocyclopropyl)-1,3-oxazole

2-tert-butyl-5-(2,2-difluorocyclopropyl)-1,3-oxazole (PubChem CID 57181698) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-tert-butyl-5-(2,2-difluorocyclopropyl)-1,3-oxazole.

Molecular Properties

Compound Name2-tert-butyl-5-(2,2-difluorocyclopropyl)-1,3-oxazole
PubChem CID57181698
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-tert-butyl-5-(2,2-difluorocyclopropyl)-1,3-oxazole
SMILESCC(C)(C)c1ncc(C2CC2(F)F)o1
InChIInChI=1S/C10H13F2NO/c1-9(2,3)8-13-5-7(14-8)6-4-10(6,11)12/h5-6H,4H2,1-3H3
InChIKeyMTJRHZHPWAXIDI-UHFFFAOYSA-N
XLogP3.09
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2,2-difluorocyclopropyl)-1,3-oxazole?
The IUPAC name of 2-tert-butyl-5-(2,2-difluorocyclopropyl)-1,3-oxazole (CID 57181698) is 2-tert-butyl-5-(2,2-difluorocyclopropyl)-1,3-oxazole.
What is the SMILES notation for 2-tert-butyl-5-(2,2-difluorocyclopropyl)-1,3-oxazole?
The canonical SMILES for 2-tert-butyl-5-(2,2-difluorocyclopropyl)-1,3-oxazole is CC(C)(C)c1ncc(C2CC2(F)F)o1.
What is the InChIKey of 2-tert-butyl-5-(2,2-difluorocyclopropyl)-1,3-oxazole?
The InChIKey is MTJRHZHPWAXIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-9(2,3)8-13-5-7(14-8)6-4-10(6,11)12/h5-6H,4H2,1-3H3.
What are the key properties of 2-tert-butyl-5-(2,2-difluorocyclopropyl)-1,3-oxazole?
2-tert-butyl-5-(2,2-difluorocyclopropyl)-1,3-oxazole has a molecular weight of 201.22 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2,2-difluorocyclopropyl)-1,3-oxazole is sourced from PubChem (CID 57181698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).