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

C9H11F3N2O — CID 126844095

IUPAC3-(5-cyclopropyl-1,2-oxazol-3-yl)-1,1,1-trifluoropropan-2-amine
SMILESNC(Cc1cc(C2CC2)on1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)8(13)4-6-3-7(15-14-6)5-1-2-5/h3,5,8H,1-2,4,13H2
InChIKeyBABBIHRNGYJOEZ-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.98
Rot. Bonds3

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

3-(5-cyclopropyl-1,2-oxazol-3-yl)-1,1,1-trifluoropropan-2-amine (PubChem CID 126844095) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name3-(5-cyclopropyl-1,2-oxazol-3-yl)-1,1,1-trifluoropropan-2-amine
PubChem CID126844095
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name3-(5-cyclopropyl-1,2-oxazol-3-yl)-1,1,1-trifluoropropan-2-amine
SMILESNC(Cc1cc(C2CC2)on1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)8(13)4-6-3-7(15-14-6)5-1-2-5/h3,5,8H,1-2,4,13H2
InChIKeyBABBIHRNGYJOEZ-UHFFFAOYSA-N
XLogP1.98
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Isobutylisoxazol-5-yl)methanamine
CID 6484233
(3-Cyclopropyl-1,2-oxazol-5-yl)methanamine
CID 64156762
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
(5-Cyclopentyl-1,2-oxazol-3-yl)methanamine
CID 80461606
2-(5-Tert-butyl-1,2-oxazol-3-yl)ethan-1-amine
CID 83827066
4-[5-(Trifluoromethyl)-1,2-oxazol-3-yl]piperidine hydrochloride
CID 154703246
3-(Azetidin-3-yl)-5-(trifluoromethyl)-1,2-oxazole
CID 165890950
2-(3-Cyclopropyl-1,2-oxazol-5-yl)propan-2-amine hydrochloride
CID 177801212
5,5,5-Trifluoro-2-[[5-(fluoromethyl)-1,2-oxazol-3-yl]methyl]-2-isocyanopentanenitrile
CID 57736324
5,5,5-Trifluoro-2-isocyano-2-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pentanenitrile
CID 57736355

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1,1,1-trifluoropropan-2-amine?
The IUPAC name of 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1,1,1-trifluoropropan-2-amine (CID 126844095) is 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1,1,1-trifluoropropan-2-amine is NC(Cc1cc(C2CC2)on1)C(F)(F)F.
What is the InChIKey of 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1,1,1-trifluoropropan-2-amine?
The InChIKey is BABBIHRNGYJOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c10-9(11,12)8(13)4-6-3-7(15-14-6)5-1-2-5/h3,5,8H,1-2,4,13H2.
What are the key properties of 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1,1,1-trifluoropropan-2-amine?
3-(5-cyclopropyl-1,2-oxazol-3-yl)-1,1,1-trifluoropropan-2-amine has a molecular weight of 220.19 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 126844095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).