3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1,1-trifluoropropan-2-amine

C10H15F3N2O — CID 126844123

IUPAC3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1,1-trifluoropropan-2-amine
SMILESCC(C)(C)c1cc(CC(N)C(F)(F)F)no1
InChIInChI=1S/C10H15F3N2O/c1-9(2,3)8-5-6(15-16-8)4-7(14)10(11,12)13/h5,7H,4,14H2,1-3H3
InChIKeyFHISQEFOGKKCIC-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.40
Rot. Bonds2

About 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1,1-trifluoropropan-2-amine

3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1,1-trifluoropropan-2-amine (PubChem CID 126844123) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1,1-trifluoropropan-2-amine
PubChem CID126844123
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1,1-trifluoropropan-2-amine
SMILESCC(C)(C)c1cc(CC(N)C(F)(F)F)no1
InChIInChI=1S/C10H15F3N2O/c1-9(2,3)8-5-6(15-16-8)4-7(14)10(11,12)13/h5,7H,4,14H2,1-3H3
InChIKeyFHISQEFOGKKCIC-UHFFFAOYSA-N
XLogP2.40
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1,1-trifluoropropan-2-amine with MolForge

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Related Compounds

(3-Isobutylisoxazol-5-yl)methanamine
CID 6484233
(3-Tert-butyl-1,2-oxazol-5-yl)methanamine
CID 64157435
2-(5-Cyclopropyl-1,2-oxazol-3-yl)ethan-1-amine
CID 82074673
1-[3-(2-Methylpropyl)-1,2-oxazol-5-yl]methanamine hydrochloride
CID 47000724
[3-(Pentan-3-yl)-1,2-oxazol-5-yl]methanamine
CID 54595351
2-(5-Methyl-1,2-oxazol-3-yl)ethan-1-amine hydrochloride
CID 75464927
2-(5-Tert-butyl-1,2-oxazol-3-yl)ethan-1-amine
CID 83827066
2-(5-Methylisoxazol-3-yl)ethanamine
CID 28808461
5,5,5-Trifluoro-2-[[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]methyl]-2-isocyanopentanenitrile
CID 57736303
2-[(5-Tert-butyl-1,2-oxazol-3-yl)methyl]-5,5,5-trifluoro-2-isocyanopentanenitrile
CID 57736304
2-[(3-Tert-butyl-1,2-oxazol-5-yl)methyl]-5,5,5-trifluoro-2-isocyanopentanenitrile
CID 57736314
5,5,5-Trifluoro-2-[[5-(fluoromethyl)-1,2-oxazol-3-yl]methyl]-2-isocyanopentanenitrile
CID 57736324

Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1,1-trifluoropropan-2-amine?
The IUPAC name of 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1,1-trifluoropropan-2-amine (CID 126844123) is 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1,1-trifluoropropan-2-amine is CC(C)(C)c1cc(CC(N)C(F)(F)F)no1.
What is the InChIKey of 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1,1-trifluoropropan-2-amine?
The InChIKey is FHISQEFOGKKCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-9(2,3)8-5-6(15-16-8)4-7(14)10(11,12)13/h5,7H,4,14H2,1-3H3.
What are the key properties of 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1,1-trifluoropropan-2-amine?
3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1,1-trifluoropropan-2-amine has a molecular weight of 236.24 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 126844123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).