3,3,3-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine

C9H13F3N2O — CID 103893751

IUPAC3,3,3-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine
SMILESCc1cnc(C(C)NCCC(F)(F)F)o1
InChIInChI=1S/C9H13F3N2O/c1-6-5-14-8(15-6)7(2)13-4-3-9(10,11)12/h5,7,13H,3-4H2,1-2H3
InChIKeyWUENVPYQWOTOHC-UHFFFAOYSA-N
MW222.21 g/mol
LogP2.59
Rot. Bonds4

About 3,3,3-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine

3,3,3-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine (PubChem CID 103893751) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine
PubChem CID103893751
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name3,3,3-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine
SMILESCc1cnc(C(C)NCCC(F)(F)F)o1
InChIInChI=1S/C9H13F3N2O/c1-6-5-14-8(15-6)7(2)13-4-3-9(10,11)12/h5,7,13H,3-4H2,1-2H3
InChIKeyWUENVPYQWOTOHC-UHFFFAOYSA-N
XLogP2.59
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Ethyl-5-methyloxazole
CID 528403
(2-Methyl-1,3-oxazol-5-yl)methanamine
CID 19105071
(5-Methyl-1,3-Oxazol-2-Yl)Methanamine
CID 24254960
1-(5-Methyl-1,3-oxazol-2-yl)ethan-1-amine
CID 24255020
(5-Ethyl-1,3-oxazol-2-yl)methanamine
CID 65180193
(2-Ethyl-1,3-oxazol-5-yl)methanamine
CID 82074647
1-(2-Tert-butyl-1,3-oxazol-5-yl)methanamine
CID 82074678
(5-Methyl-1,3-oxazol-2-yl)methanamine hydrochloride
CID 134129825
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-(pyrrolidin-3-yl)acetamide hydrochloride
CID 71756632
1-[2-(Propan-2-yl)-1,3-oxazol-5-yl]methanamine
CID 82074655
2-(5-Methyloxazol-2-YL)ethan-1-amine dihydrochloride
CID 165691394
2,2,2-Trifluoro-1-(5-methyloxazol-2-yl)ethan-1-aminium chloride
CID 168474941

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine (CID 103893751) is 3,3,3-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine is Cc1cnc(C(C)NCCC(F)(F)F)o1.
What is the InChIKey of 3,3,3-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine?
The InChIKey is WUENVPYQWOTOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-6-5-14-8(15-6)7(2)13-4-3-9(10,11)12/h5,7,13H,3-4H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine?
3,3,3-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine has a molecular weight of 222.21 g/mol, XLogP of 2.59, 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-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 103893751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).