[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanamine

C7H9F3N2O — CID 79139056

IUPAC[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanamine
SMILESNCc1ncoc1CCC(F)(F)F
InChIInChI=1S/C7H9F3N2O/c8-7(9,10)2-1-6-5(3-11)12-4-13-6/h4H,1-3,11H2
InChIKeyOQGVGPSDRRMGFH-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.63
Rot. Bonds3

About [5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanamine

[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanamine (PubChem CID 79139056) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is [5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanamine
PubChem CID79139056
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanamine
SMILESNCc1ncoc1CCC(F)(F)F
InChIInChI=1S/C7H9F3N2O/c8-7(9,10)2-1-6-5(3-11)12-4-13-6/h4H,1-3,11H2
InChIKeyOQGVGPSDRRMGFH-UHFFFAOYSA-N
XLogP1.63
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Oxazole, 4-methyl-5-propyl-
CID 214134
(5-Cyclopropyl-1,3-oxazol-4-yl)methanamine hydrochloride
CID 137971658
1-(4-Ethyl-1,3-oxazol-5-yl)methanamine dihydrochloride
CID 165945971
(5-Ethyl-1,3-oxazol-4-yl)methanamine;hydrochloride
CID 170912231
4-Methyl-5-(3,3,3-trifluoropropyl)-1,3-oxazole
CID 90397392
1-[1-[5-(Trifluoromethyl)-1,3-oxazol-4-yl]ethyl]piperidin-4-amine
CID 117721595
2-(4,4-Difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethanamine
CID 118297302
N-[(5-butan-2-yl-1,3-oxazol-4-yl)methyl]-2,2,2-trifluoroethanamine
CID 166789290
N-[(5-ethyl-1,3-oxazol-4-yl)methyl]-2,2,2-trifluoroethanamine
CID 166789291
(5-Isopropyloxazol-4-yl)methanamine hydrochloride
CID 137971659
[5-(t-Butyl)oxazol-4-yl]methanamine hydrochloride
CID 138376781
(5-Cyclobutyloxazol-4-yl)methanamine hydrochloride
CID 138376783

Frequently Asked Questions

What is the IUPAC name of [5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanamine (CID 79139056) is [5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanamine is NCc1ncoc1CCC(F)(F)F.
What is the InChIKey of [5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is OQGVGPSDRRMGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c8-7(9,10)2-1-6-5(3-11)12-4-13-6/h4H,1-3,11H2.
What are the key properties of [5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanamine?
[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 194.16 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 79139056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).