N-methyl-1-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]methanamine

C15H15F3N4O — CID 71915911

IUPACN-methyl-1-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]methanamine
SMILESCN(Cc1cnn(C)c1)Cc1nc2cc(C(F)(F)F)ccc2o1
InChIInChI=1S/C15H15F3N4O/c1-21(7-10-6-19-22(2)8-10)9-14-20-12-5-11(15(16,17)18)3-4-13(12)23-14/h3-6,8H,7,9H2,1-2H3
InChIKeyBCAHIWONXOXOOX-UHFFFAOYSA-N
MW324.31 g/mol
LogP3.21
Rot. Bonds4

About N-methyl-1-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]methanamine

N-methyl-1-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]methanamine (PubChem CID 71915911) has the molecular formula C15H15F3N4O and a molecular weight of 324.31 g/mol. Its IUPAC name is N-methyl-1-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]methanamine
PubChem CID71915911
Molecular FormulaC15H15F3N4O
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC NameN-methyl-1-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]methanamine
SMILESCN(Cc1cnn(C)c1)Cc1nc2cc(C(F)(F)F)ccc2o1
InChIInChI=1S/C15H15F3N4O/c1-21(7-10-6-19-22(2)8-10)9-14-20-12-5-11(15(16,17)18)3-4-13(12)23-14/h3-6,8H,7,9H2,1-2H3
InChIKeyBCAHIWONXOXOOX-UHFFFAOYSA-N
XLogP3.21
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]methanamine?
The IUPAC name of N-methyl-1-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]methanamine (CID 71915911) is N-methyl-1-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]methanamine.
What is the SMILES notation for N-methyl-1-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]methanamine?
The canonical SMILES for N-methyl-1-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]methanamine is CN(Cc1cnn(C)c1)Cc1nc2cc(C(F)(F)F)ccc2o1.
What is the InChIKey of N-methyl-1-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]methanamine?
The InChIKey is BCAHIWONXOXOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O/c1-21(7-10-6-19-22(2)8-10)9-14-20-12-5-11(15(16,17)18)3-4-13(12)23-14/h3-6,8H,7,9H2,1-2H3.
What are the key properties of N-methyl-1-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]methanamine?
N-methyl-1-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]methanamine has a molecular weight of 324.31 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]methanamine is sourced from PubChem (CID 71915911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).