3,3,3-trifluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine

C7H9F3N2O — CID 106417784

IUPAC3,3,3-trifluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine
SMILESFC(F)(F)CCNCc1ccno1
InChIInChI=1S/C7H9F3N2O/c8-7(9,10)2-4-11-5-6-1-3-12-13-6/h1,3,11H,2,4-5H2
InChIKeyNBAKDDYZFPGPAW-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.72
Rot. Bonds4

About 3,3,3-trifluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine

3,3,3-trifluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine (PubChem CID 106417784) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine
PubChem CID106417784
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name3,3,3-trifluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine
SMILESFC(F)(F)CCNCc1ccno1
InChIInChI=1S/C7H9F3N2O/c8-7(9,10)2-4-11-5-6-1-3-12-13-6/h1,3,11H,2,4-5H2
InChIKeyNBAKDDYZFPGPAW-UHFFFAOYSA-N
XLogP1.72
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1,2-oxazol-5-ylmethyl)cyclooctanamine
CID 103604816
Isoxazol-5-ylmethanamine hydrochloride
CID 18442593
1-(1,2-Oxazol-5-yl)methanamine
CID 18442594
N'-[(3-fluoro-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 70457956
N-(trifluoromethyl)-1,2-oxazole-5-carboxamide
CID 70653901
2,2,2-trifluoro-N-(1,2-oxazol-5-ylmethyl)acetamide
CID 104600349
5-[[4-(Trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole
CID 71986501
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
N-(1,2-oxazol-5-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 103616141
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

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine (CID 106417784) is 3,3,3-trifluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine is FC(F)(F)CCNCc1ccno1.
What is the InChIKey of 3,3,3-trifluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine?
The InChIKey is NBAKDDYZFPGPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c8-7(9,10)2-4-11-5-6-1-3-12-13-6/h1,3,11H,2,4-5H2.
What are the key properties of 3,3,3-trifluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine?
3,3,3-trifluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine has a molecular weight of 194.16 g/mol, XLogP of 1.72, 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-(1,2-oxazol-5-ylmethyl)propan-1-amine is sourced from PubChem (CID 106417784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).