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

C16H17FN4O — CID 36935980

IUPAC1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
SMILESCN(Cc1cnn(C)c1)Cc1cc(-c2ccc(F)cc2)no1
InChIInChI=1S/C16H17FN4O/c1-20(9-12-8-18-21(2)10-12)11-15-7-16(19-22-15)13-3-5-14(17)6-4-13/h3-8,10H,9,11H2,1-2H3
InChIKeyBRUGUZORFWLNIT-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.85
Rot. Bonds5

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

1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine (PubChem CID 36935980) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
PubChem CID36935980
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
SMILESCN(Cc1cnn(C)c1)Cc1cc(-c2ccc(F)cc2)no1
InChIInChI=1S/C16H17FN4O/c1-20(9-12-8-18-21(2)10-12)11-15-7-16(19-22-15)13-3-5-14(17)6-4-13/h3-8,10H,9,11H2,1-2H3
InChIKeyBRUGUZORFWLNIT-UHFFFAOYSA-N
XLogP2.85
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine (CID 36935980) is 1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine is CN(Cc1cnn(C)c1)Cc1cc(-c2ccc(F)cc2)no1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The InChIKey is BRUGUZORFWLNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c1-20(9-12-8-18-21(2)10-12)11-15-7-16(19-22-15)13-3-5-14(17)6-4-13/h3-8,10H,9,11H2,1-2H3.
What are the key properties of 1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine has a molecular weight of 300.34 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 36935980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).