N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine

C12H12F3N3O — CID 168750201

IUPACN-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESCc1cc(CNCc2ccc(C(F)(F)F)cn2)no1
InChIInChI=1S/C12H12F3N3O/c1-8-4-11(18-19-8)7-16-6-10-3-2-9(5-17-10)12(13,14)15/h2-5,16H,6-7H2,1H3
InChIKeyCNKLUQRAVDSCCD-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.69
Rot. Bonds4

About N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine

N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine (PubChem CID 168750201) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
PubChem CID168750201
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESCc1cc(CNCc2ccc(C(F)(F)F)cn2)no1
InChIInChI=1S/C12H12F3N3O/c1-8-4-11(18-19-8)7-16-6-10-3-2-9(5-17-10)12(13,14)15/h2-5,16H,6-7H2,1H3
InChIKeyCNKLUQRAVDSCCD-UHFFFAOYSA-N
XLogP2.69
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
The IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine (CID 168750201) is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
The canonical SMILES for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine is Cc1cc(CNCc2ccc(C(F)(F)F)cn2)no1.
What is the InChIKey of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
The InChIKey is CNKLUQRAVDSCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-8-4-11(18-19-8)7-16-6-10-3-2-9(5-17-10)12(13,14)15/h2-5,16H,6-7H2,1H3.
What are the key properties of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine has a molecular weight of 271.24 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 168750201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).