N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-2,2-difluoro-N-methylethanamine

C12H20F2N2O — CID 75436468

IUPACN-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-2,2-difluoro-N-methylethanamine
SMILESCC(c1ncc(C(C)(C)C)o1)N(C)CC(F)F
InChIInChI=1S/C12H20F2N2O/c1-8(16(5)7-10(13)14)11-15-6-9(17-11)12(2,3)4/h6,8,10H,7H2,1-5H3
InChIKeyKPHUCSOPSUJSLS-UHFFFAOYSA-N
MW246.30 g/mol
LogP3.23
Rot. Bonds4

About N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-2,2-difluoro-N-methylethanamine

N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-2,2-difluoro-N-methylethanamine (PubChem CID 75436468) has the molecular formula C12H20F2N2O and a molecular weight of 246.30 g/mol. Its IUPAC name is N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-2,2-difluoro-N-methylethanamine.

Molecular Properties

Compound NameN-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-2,2-difluoro-N-methylethanamine
PubChem CID75436468
Molecular FormulaC12H20F2N2O
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC NameN-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-2,2-difluoro-N-methylethanamine
SMILESCC(c1ncc(C(C)(C)C)o1)N(C)CC(F)F
InChIInChI=1S/C12H20F2N2O/c1-8(16(5)7-10(13)14)11-15-6-9(17-11)12(2,3)4/h6,8,10H,7H2,1-5H3
InChIKeyKPHUCSOPSUJSLS-UHFFFAOYSA-N
XLogP3.23
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-2,2-difluoro-N-methylethanamine?
The IUPAC name of N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-2,2-difluoro-N-methylethanamine (CID 75436468) is N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-2,2-difluoro-N-methylethanamine.
What is the SMILES notation for N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-2,2-difluoro-N-methylethanamine?
The canonical SMILES for N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-2,2-difluoro-N-methylethanamine is CC(c1ncc(C(C)(C)C)o1)N(C)CC(F)F.
What is the InChIKey of N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-2,2-difluoro-N-methylethanamine?
The InChIKey is KPHUCSOPSUJSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O/c1-8(16(5)7-10(13)14)11-15-6-9(17-11)12(2,3)4/h6,8,10H,7H2,1-5H3.
What are the key properties of N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-2,2-difluoro-N-methylethanamine?
N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-2,2-difluoro-N-methylethanamine has a molecular weight of 246.30 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-2,2-difluoro-N-methylethanamine is sourced from PubChem (CID 75436468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).