1,1,1-trifluoro-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol

C7H9F3N2O2 — CID 106417429

IUPAC1,1,1-trifluoro-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol
SMILESOC(CNCc1ccno1)C(F)(F)F
InChIInChI=1S/C7H9F3N2O2/c8-7(9,10)6(13)4-11-3-5-1-2-12-14-5/h1-2,6,11,13H,3-4H2
InChIKeyAOMJZEGLSCVPHF-UHFFFAOYSA-N
MW210.15 g/mol
LogP0.69
Rot. Bonds4

About 1,1,1-trifluoro-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol

1,1,1-trifluoro-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol (PubChem CID 106417429) has the molecular formula C7H9F3N2O2 and a molecular weight of 210.15 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol
PubChem CID106417429
Molecular FormulaC7H9F3N2O2
Molecular Weight210.15 g/mol
Exact Mass210.06
IUPAC Name1,1,1-trifluoro-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol
SMILESOC(CNCc1ccno1)C(F)(F)F
InChIInChI=1S/C7H9F3N2O2/c8-7(9,10)6(13)4-11-3-5-1-2-12-14-5/h1-2,6,11,13H,3-4H2
InChIKeyAOMJZEGLSCVPHF-UHFFFAOYSA-N
XLogP0.69
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoro-N-(1,2-oxazol-5-ylmethyl)acetamide
CID 104600349
2-[1,2-Oxazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258437
3,3,3-Trifluoro-2-methyl-2-(1,2-oxazol-5-ylmethylamino)propanoic acid
CID 79789409
2,2-difluoro-N-(1,2-oxazol-5-ylmethyl)ethanamine
CID 103829349
2-[1,2-Oxazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 103864934
1-(1,2-Oxazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 103951484
N-(1,2-oxazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 104600393
1,1-difluoro-N-(1,2-oxazol-5-ylmethyl)propan-2-amine
CID 106414984
N-(1,2-oxazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 106415508
6,6,6-trifluoro-N-(1,2-oxazol-5-ylmethyl)hexan-2-amine
CID 106415669
2-amino-3,3,3-trifluoro-2-methyl-N-(1,2-oxazol-5-ylmethyl)propanamide
CID 106416942
N-(1,2-oxazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 106417404

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol (CID 106417429) is 1,1,1-trifluoro-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol is OC(CNCc1ccno1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol?
The InChIKey is AOMJZEGLSCVPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O2/c8-7(9,10)6(13)4-11-3-5-1-2-12-14-5/h1-2,6,11,13H,3-4H2.
What are the key properties of 1,1,1-trifluoro-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol?
1,1,1-trifluoro-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol has a molecular weight of 210.15 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol is sourced from PubChem (CID 106417429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).