3,3,3-trifluoro-N-methyl-2-(1,2-oxazol-3-ylmethyl)propan-1-amine

C8H11F3N2O — CID 126844042

IUPAC3,3,3-trifluoro-N-methyl-2-(1,2-oxazol-3-ylmethyl)propan-1-amine
SMILESCNCC(Cc1ccon1)C(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-12-5-6(8(9,10)11)4-7-2-3-14-13-7/h2-3,6,12H,4-5H2,1H3
InChIKeyGHFZUJDBYLHBIU-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.62
Rot. Bonds4

About 3,3,3-trifluoro-N-methyl-2-(1,2-oxazol-3-ylmethyl)propan-1-amine

3,3,3-trifluoro-N-methyl-2-(1,2-oxazol-3-ylmethyl)propan-1-amine (PubChem CID 126844042) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methyl-2-(1,2-oxazol-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methyl-2-(1,2-oxazol-3-ylmethyl)propan-1-amine
PubChem CID126844042
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name3,3,3-trifluoro-N-methyl-2-(1,2-oxazol-3-ylmethyl)propan-1-amine
SMILESCNCC(Cc1ccon1)C(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-12-5-6(8(9,10)11)4-7-2-3-14-13-7/h2-3,6,12H,4-5H2,1H3
InChIKeyGHFZUJDBYLHBIU-UHFFFAOYSA-N
XLogP1.62
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Azetidin-3-yl)-1,2-oxazole hydrochloride
CID 121605260
4-(1,2-Oxazol-3-yl)piperidine hydrochloride
CID 122164276
3-(1,2-Oxazol-3-yl)piperidine hydrochloride
CID 132354073
3-(Pyrrolidin-3-yl)-1,2-oxazole hydrochloride
CID 137951271
Isobutylisoxazole
CID 21085832
alpha-Aminomethylisoxazole-propionic acid
CID 129865072
3-(Pyrrolidin-3-YL)-1,2-oxazole
CID 18337183
4-Isoxazol-3-YL-piperidine
CID 55262740
3-[1-(4,4,4-Trifluorobutyl)piperidin-4-yl]-1,2-oxazole
CID 66759631
4-(1,1-Difluoroethyl)-3-piperidin-4-yl-1,2-oxazole
CID 156077329
3-(1-Fluoro-2-methylpropyl)-1,2-oxazole
CID 166858107
3-(1,1-Difluoro-2-methylpropyl)-1,2-oxazole
CID 166858335

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-methyl-2-(1,2-oxazol-3-ylmethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-methyl-2-(1,2-oxazol-3-ylmethyl)propan-1-amine (CID 126844042) is 3,3,3-trifluoro-N-methyl-2-(1,2-oxazol-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-methyl-2-(1,2-oxazol-3-ylmethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-methyl-2-(1,2-oxazol-3-ylmethyl)propan-1-amine is CNCC(Cc1ccon1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-methyl-2-(1,2-oxazol-3-ylmethyl)propan-1-amine?
The InChIKey is GHFZUJDBYLHBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-12-5-6(8(9,10)11)4-7-2-3-14-13-7/h2-3,6,12H,4-5H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-methyl-2-(1,2-oxazol-3-ylmethyl)propan-1-amine?
3,3,3-trifluoro-N-methyl-2-(1,2-oxazol-3-ylmethyl)propan-1-amine has a molecular weight of 208.18 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-methyl-2-(1,2-oxazol-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 126844042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).