N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine

C12H14F3N3OS — CID 75521389

IUPACN-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
SMILESCCC(NCc1cc(C)on1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H14F3N3OS/c1-3-9(16-5-8-4-7(2)19-18-8)11-17-10(6-20-11)12(13,14)15/h4,6,9,16H,3,5H2,1-2H3
InChIKeyXNHGGISNSMEALC-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.70
Rot. Bonds5

About N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine

N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine (PubChem CID 75521389) has the molecular formula C12H14F3N3OS and a molecular weight of 305.33 g/mol. Its IUPAC name is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
PubChem CID75521389
Molecular FormulaC12H14F3N3OS
Molecular Weight305.33 g/mol
Exact Mass305.08
IUPAC NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
SMILESCCC(NCc1cc(C)on1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H14F3N3OS/c1-3-9(16-5-8-4-7(2)19-18-8)11-17-10(6-20-11)12(13,14)15/h4,6,9,16H,3,5H2,1-2H3
InChIKeyXNHGGISNSMEALC-UHFFFAOYSA-N
XLogP3.70
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine?
The IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine (CID 75521389) is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine.
What is the SMILES notation for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine?
The canonical SMILES for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine is CCC(NCc1cc(C)on1)c1nc(C(F)(F)F)cs1.
What is the InChIKey of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine?
The InChIKey is XNHGGISNSMEALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3OS/c1-3-9(16-5-8-4-7(2)19-18-8)11-17-10(6-20-11)12(13,14)15/h4,6,9,16H,3,5H2,1-2H3.
What are the key properties of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine?
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine has a molecular weight of 305.33 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine is sourced from PubChem (CID 75521389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).