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

C18H21FN4O — CID 46995086

IUPACN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine
SMILESCC(C)c1cc(CN(C)Cc2cn[nH]c2-c2ccc(F)cc2)no1
InChIInChI=1S/C18H21FN4O/c1-12(2)17-8-16(22-24-17)11-23(3)10-14-9-20-21-18(14)13-4-6-15(19)7-5-13/h4-9,12H,10-11H2,1-3H3,(H,20,21)
InChIKeyTUIOWAZYKITCHJ-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.96
Rot. Bonds6

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

N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine (PubChem CID 46995086) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine
PubChem CID46995086
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine
SMILESCC(C)c1cc(CN(C)Cc2cn[nH]c2-c2ccc(F)cc2)no1
InChIInChI=1S/C18H21FN4O/c1-12(2)17-8-16(22-24-17)11-23(3)10-14-9-20-21-18(14)13-4-6-15(19)7-5-13/h4-9,12H,10-11H2,1-3H3,(H,20,21)
InChIKeyTUIOWAZYKITCHJ-UHFFFAOYSA-N
XLogP3.96
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine?
The IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine (CID 46995086) is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine is CC(C)c1cc(CN(C)Cc2cn[nH]c2-c2ccc(F)cc2)no1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine?
The InChIKey is TUIOWAZYKITCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-12(2)17-8-16(22-24-17)11-23(3)10-14-9-20-21-18(14)13-4-6-15(19)7-5-13/h4-9,12H,10-11H2,1-3H3,(H,20,21).
What are the key properties of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine?
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine has a molecular weight of 328.39 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine is sourced from PubChem (CID 46995086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).