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

C9H11F3N2O — CID 83861468

IUPACN-methyl-1-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]methanamine
SMILESCNCC1CCc2onc(C(F)(F)F)c21
InChIInChI=1S/C9H11F3N2O/c1-13-4-5-2-3-6-7(5)8(14-15-6)9(10,11)12/h5,13H,2-4H2,1H3
InChIKeyVWOALPXVUYYGNZ-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.94
Rot. Bonds2

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

N-methyl-1-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]methanamine (PubChem CID 83861468) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is N-methyl-1-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]methanamine
PubChem CID83861468
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC NameN-methyl-1-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]methanamine
SMILESCNCC1CCc2onc(C(F)(F)F)c21
InChIInChI=1S/C9H11F3N2O/c1-13-4-5-2-3-6-7(5)8(14-15-6)9(10,11)12/h5,13H,2-4H2,1H3
InChIKeyVWOALPXVUYYGNZ-UHFFFAOYSA-N
XLogP1.94
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-Azabicyclo[3.1.0]hexan-1-yl)-4-methyl-5-(trifluoromethyl)-1,2-oxazole
CID 71250535
N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-amine
CID 83861464
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
[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]methanamine
CID 83861469
N-methyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl]methanamine
CID 83861872
(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
4-(1,2,3,3a,4,5,6,6a-Octahydrocyclopenta[c]pyrrol-5-yl)-3,5-dimethyl-1,2-oxazole
CID 69895294

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]methanamine (CID 83861468) is N-methyl-1-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]methanamine is CNCC1CCc2onc(C(F)(F)F)c21.
What is the InChIKey of N-methyl-1-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]methanamine?
The InChIKey is VWOALPXVUYYGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-13-4-5-2-3-6-7(5)8(14-15-6)9(10,11)12/h5,13H,2-4H2,1H3.
What are the key properties of N-methyl-1-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]methanamine?
N-methyl-1-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]methanamine has a molecular weight of 220.19 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]methanamine is sourced from PubChem (CID 83861468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).