N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-amine

C8H9F3N2O — CID 83861464

IUPACN-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-amine
SMILESCNC1CCc2onc(C(F)(F)F)c21
InChIInChI=1S/C8H9F3N2O/c1-12-4-2-3-5-6(4)7(13-14-5)8(9,10)11/h4,12H,2-3H2,1H3
InChIKeyZIWVJTBFRVYHNX-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.90
Rot. Bonds1

About N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-amine

N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-amine (PubChem CID 83861464) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-amine.

Molecular Properties

Compound NameN-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-amine
PubChem CID83861464
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC NameN-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-amine
SMILESCNC1CCc2onc(C(F)(F)F)c21
InChIInChI=1S/C8H9F3N2O/c1-12-4-2-3-5-6(4)7(13-14-5)8(9,10)11/h4,12H,2-3H2,1H3
InChIKeyZIWVJTBFRVYHNX-UHFFFAOYSA-N
XLogP1.90
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 75504647
3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-amine
CID 83861465
2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]ethanamine
CID 83861466
N-methyl-1-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]methanamine
CID 83861468
[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]methanamine
CID 83861469
(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 97824784
(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 97824785
(4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-yl)methanamine
CID 105430458
(6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-yl)methanamine
CID 105430459
(4-Fluoro-4-methyl-5,6-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine
CID 105434424
(6,6-Difluoro-4,5-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine
CID 105435720
(4,4-Difluoro-5,6-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine
CID 105435723

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-amine?
The IUPAC name of N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-amine (CID 83861464) is N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-amine.
What is the SMILES notation for N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-amine?
The canonical SMILES for N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-amine is CNC1CCc2onc(C(F)(F)F)c21.
What is the InChIKey of N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-amine?
The InChIKey is ZIWVJTBFRVYHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-12-4-2-3-5-6(4)7(13-14-5)8(9,10)11/h4,12H,2-3H2,1H3.
What are the key properties of N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-amine?
N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-amine has a molecular weight of 206.17 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-amine is sourced from PubChem (CID 83861464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).