1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2-difluoropropane-1,1-diol

C10H15F2NO3 — CID 135295980

IUPAC1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2-difluoropropane-1,1-diol
SMILESCC(C)(C)c1nc(C(O)(O)C(C)(F)F)co1
InChIInChI=1S/C10H15F2NO3/c1-8(2,3)7-13-6(5-16-7)10(14,15)9(4,11)12/h5,14-15H,1-4H3
InChIKeyCWDRFSAFTUVVIH-UHFFFAOYSA-N
MW235.23 g/mol
LogP1.76
Rot. Bonds2

About 1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2-difluoropropane-1,1-diol

1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2-difluoropropane-1,1-diol (PubChem CID 135295980) has the molecular formula C10H15F2NO3 and a molecular weight of 235.23 g/mol. Its IUPAC name is 1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2-difluoropropane-1,1-diol.

Molecular Properties

Compound Name1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2-difluoropropane-1,1-diol
PubChem CID135295980
Molecular FormulaC10H15F2NO3
Molecular Weight235.23 g/mol
Exact Mass235.10
IUPAC Name1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2-difluoropropane-1,1-diol
SMILESCC(C)(C)c1nc(C(O)(O)C(C)(F)F)co1
InChIInChI=1S/C10H15F2NO3/c1-8(2,3)7-13-6(5-16-7)10(14,15)9(4,11)12/h5,14-15H,1-4H3
InChIKeyCWDRFSAFTUVVIH-UHFFFAOYSA-N
XLogP1.76
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2-difluoropropane-1,1-diol?
The IUPAC name of 1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2-difluoropropane-1,1-diol (CID 135295980) is 1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2-difluoropropane-1,1-diol.
What is the SMILES notation for 1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2-difluoropropane-1,1-diol?
The canonical SMILES for 1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2-difluoropropane-1,1-diol is CC(C)(C)c1nc(C(O)(O)C(C)(F)F)co1.
What is the InChIKey of 1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2-difluoropropane-1,1-diol?
The InChIKey is CWDRFSAFTUVVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO3/c1-8(2,3)7-13-6(5-16-7)10(14,15)9(4,11)12/h5,14-15H,1-4H3.
What are the key properties of 1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2-difluoropropane-1,1-diol?
1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2-difluoropropane-1,1-diol has a molecular weight of 235.23 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-1,3-oxazol-4-yl)-2,2-difluoropropane-1,1-diol is sourced from PubChem (CID 135295980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).