3-[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine

C13H20N4O — CID 65187169

IUPAC3-[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNCCCc1ncc(-c2ccnn2C)o1
InChIInChI=1S/C13H20N4O/c1-3-7-14-8-4-5-13-15-10-12(18-13)11-6-9-16-17(11)2/h6,9-10,14H,3-5,7-8H2,1-2H3
InChIKeyUHHBMEIASADGJC-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.01
Rot. Bonds7

About 3-[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine

3-[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine (PubChem CID 65187169) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
PubChem CID65187169
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name3-[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNCCCc1ncc(-c2ccnn2C)o1
InChIInChI=1S/C13H20N4O/c1-3-7-14-8-4-5-13-15-10-12(18-13)11-6-9-16-17(11)2/h6,9-10,14H,3-5,7-8H2,1-2H3
InChIKeyUHHBMEIASADGJC-UHFFFAOYSA-N
XLogP2.01
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.01
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

3-[5-(5-ethylfuran-2-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 79083793
N-propyl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65187510
3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65186776
3-[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65186872
3-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65187027
3-[5-(4-bromo-2-methylphenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65186973
3-[5-(3-chloro-2-methylphenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 107100477
3-[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 81461014
3-[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65187021
3-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65187028
N-[2-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 66120641
N-[2-[5-(2-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183219

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine?
The IUPAC name of 3-[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine (CID 65187169) is 3-[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 3-[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine?
The canonical SMILES for 3-[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine is CCCNCCCc1ncc(-c2ccnn2C)o1.
What is the InChIKey of 3-[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine?
The InChIKey is UHHBMEIASADGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-3-7-14-8-4-5-13-15-10-12(18-13)11-6-9-16-17(11)2/h6,9-10,14H,3-5,7-8H2,1-2H3.
What are the key properties of 3-[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine?
3-[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine has a molecular weight of 248.33 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 65187169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).