1-(2-methoxyethyl)-4-(1,3-oxazol-5-yl)pyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)

C14H19F6N3O6 — CID 89188642

IUPAC1-(2-methoxyethyl)-4-(1,3-oxazol-5-yl)pyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)
SMILESCOCCN1CC(N)C(c2cnco2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C10H17N3O2.2C2HF3O2/c1-14-3-2-13-5-8(9(11)6-13)10-4-12-7-15-10;2*3-2(4,5)1(6)7/h4,7-9H,2-3,5-6,11H2,1H3;2*(H,6,7)
InChIKeyMEPMOZJKQOWYEF-UHFFFAOYSA-N
MW439.31 g/mol
LogP1.31
Rot. Bonds4

About 1-(2-methoxyethyl)-4-(1,3-oxazol-5-yl)pyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)

1-(2-methoxyethyl)-4-(1,3-oxazol-5-yl)pyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 89188642) has the molecular formula C14H19F6N3O6 and a molecular weight of 439.31 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-(1,3-oxazol-5-yl)pyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-(1,3-oxazol-5-yl)pyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)
PubChem CID89188642
Molecular FormulaC14H19F6N3O6
Molecular Weight439.31 g/mol
Exact Mass439.12
IUPAC Name1-(2-methoxyethyl)-4-(1,3-oxazol-5-yl)pyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)
SMILESCOCCN1CC(N)C(c2cnco2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C10H17N3O2.2C2HF3O2/c1-14-3-2-13-5-8(9(11)6-13)10-4-12-7-15-10;2*3-2(4,5)1(6)7/h4,7-9H,2-3,5-6,11H2,1H3;2*(H,6,7)
InChIKeyMEPMOZJKQOWYEF-UHFFFAOYSA-N
XLogP1.31
TPSA139.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.31
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-(2-methoxyethyl)-4-(1,3-oxazol-5-yl)pyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-(1,3-oxazol-5-yl)pyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1-(2-methoxyethyl)-4-(1,3-oxazol-5-yl)pyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid) (CID 89188642) is 1-(2-methoxyethyl)-4-(1,3-oxazol-5-yl)pyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1-(2-methoxyethyl)-4-(1,3-oxazol-5-yl)pyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1-(2-methoxyethyl)-4-(1,3-oxazol-5-yl)pyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid) is COCCN1CC(N)C(c2cnco2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(2-methoxyethyl)-4-(1,3-oxazol-5-yl)pyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is MEPMOZJKQOWYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2.2C2HF3O2/c1-14-3-2-13-5-8(9(11)6-13)10-4-12-7-15-10;2*3-2(4,5)1(6)7/h4,7-9H,2-3,5-6,11H2,1H3;2*(H,6,7).
What are the key properties of 1-(2-methoxyethyl)-4-(1,3-oxazol-5-yl)pyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)?
1-(2-methoxyethyl)-4-(1,3-oxazol-5-yl)pyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 439.31 g/mol, XLogP of 1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-(1,3-oxazol-5-yl)pyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 89188642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).