N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(2,2-difluoroethyl)pyrazol-4-amine

C14H20F2N4O — CID 86791913

IUPACN-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(2,2-difluoroethyl)pyrazol-4-amine
SMILESCC(Nc1cnn(CC(F)F)c1)c1ncc(C(C)(C)C)o1
InChIInChI=1S/C14H20F2N4O/c1-9(13-17-6-11(21-13)14(2,3)4)19-10-5-18-20(7-10)8-12(15)16/h5-7,9,12,19H,8H2,1-4H3
InChIKeyNLGFRAFAEHWIOO-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.61
Rot. Bonds5

About N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(2,2-difluoroethyl)pyrazol-4-amine

N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(2,2-difluoroethyl)pyrazol-4-amine (PubChem CID 86791913) has the molecular formula C14H20F2N4O and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(2,2-difluoroethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(2,2-difluoroethyl)pyrazol-4-amine
PubChem CID86791913
Molecular FormulaC14H20F2N4O
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC NameN-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(2,2-difluoroethyl)pyrazol-4-amine
SMILESCC(Nc1cnn(CC(F)F)c1)c1ncc(C(C)(C)C)o1
InChIInChI=1S/C14H20F2N4O/c1-9(13-17-6-11(21-13)14(2,3)4)19-10-5-18-20(7-10)8-12(15)16/h5-7,9,12,19H,8H2,1-4H3
InChIKeyNLGFRAFAEHWIOO-UHFFFAOYSA-N
XLogP3.61
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(2,2-difluoroethyl)pyrazol-4-amine?
The IUPAC name of N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(2,2-difluoroethyl)pyrazol-4-amine (CID 86791913) is N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(2,2-difluoroethyl)pyrazol-4-amine.
What is the SMILES notation for N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(2,2-difluoroethyl)pyrazol-4-amine?
The canonical SMILES for N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(2,2-difluoroethyl)pyrazol-4-amine is CC(Nc1cnn(CC(F)F)c1)c1ncc(C(C)(C)C)o1.
What is the InChIKey of N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(2,2-difluoroethyl)pyrazol-4-amine?
The InChIKey is NLGFRAFAEHWIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4O/c1-9(13-17-6-11(21-13)14(2,3)4)19-10-5-18-20(7-10)8-12(15)16/h5-7,9,12,19H,8H2,1-4H3.
What are the key properties of N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(2,2-difluoroethyl)pyrazol-4-amine?
N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(2,2-difluoroethyl)pyrazol-4-amine has a molecular weight of 298.34 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(2,2-difluoroethyl)pyrazol-4-amine is sourced from PubChem (CID 86791913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).