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

C13H20N4O — CID 102811471

IUPACN-[[5-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ncc(-c2cn(C)nc2CC)o1
InChIInChI=1S/C13H20N4O/c1-4-6-14-8-13-15-7-12(18-13)10-9-17(3)16-11(10)5-2/h7,9,14H,4-6,8H2,1-3H3
InChIKeyQATFMZZESXNUNF-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.14
Rot. Bonds6

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

N-[[5-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine (PubChem CID 102811471) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[[5-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine
PubChem CID102811471
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-[[5-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ncc(-c2cn(C)nc2CC)o1
InChIInChI=1S/C13H20N4O/c1-4-6-14-8-13-15-7-12(18-13)10-9-17(3)16-11(10)5-2/h7,9,14H,4-6,8H2,1-3H3
InChIKeyQATFMZZESXNUNF-UHFFFAOYSA-N
XLogP2.14
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine
CID 102811468
N-[[5-(2-methylphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65184233
N-[[2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methyl]propan-1-amine
CID 66008721
N-[[5-(4-methylthiophen-3-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 79807638
N-[[5-(4-fluoro-2-methylphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 113400409
N-[[5-(4-chloro-2,5-difluorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 82773781
N-[[5-(2-fluoro-3-methylphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 81478338
1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103096743
N-[[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 114018757
N-[[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 81460936
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine;hydrochloride
CID 3049285
N-[[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65183984

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine (CID 102811471) is N-[[5-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine is CCCNCc1ncc(-c2cn(C)nc2CC)o1.
What is the InChIKey of N-[[5-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
The InChIKey is QATFMZZESXNUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-4-6-14-8-13-15-7-12(18-13)10-9-17(3)16-11(10)5-2/h7,9,14H,4-6,8H2,1-3H3.
What are the key properties of N-[[5-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
N-[[5-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine has a molecular weight of 248.33 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 102811471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).