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

C11H16N4O2 — CID 113378085

IUPACN-[[2-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-oxazol-4-yl]methyl]propan-2-amine
SMILESCc1cc(Oc2nc(CNC(C)C)co2)n[nH]1
InChIInChI=1S/C11H16N4O2/c1-7(2)12-5-9-6-16-11(13-9)17-10-4-8(3)14-15-10/h4,6-7,12H,5H2,1-3H3,(H,14,15)
InChIKeyRGWRVMREWFWDAW-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.00
Rot. Bonds5

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

N-[[2-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-oxazol-4-yl]methyl]propan-2-amine (PubChem CID 113378085) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-[[2-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-oxazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-oxazol-4-yl]methyl]propan-2-amine
PubChem CID113378085
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC NameN-[[2-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-oxazol-4-yl]methyl]propan-2-amine
SMILESCc1cc(Oc2nc(CNC(C)C)co2)n[nH]1
InChIInChI=1S/C11H16N4O2/c1-7(2)12-5-9-6-16-11(13-9)17-10-4-8(3)14-15-10/h4,6-7,12H,5H2,1-3H3,(H,14,15)
InChIKeyRGWRVMREWFWDAW-UHFFFAOYSA-N
XLogP2.00
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-oxazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-oxazol-4-yl]methyl]propan-2-amine (CID 113378085) is N-[[2-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-oxazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-oxazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-oxazol-4-yl]methyl]propan-2-amine is Cc1cc(Oc2nc(CNC(C)C)co2)n[nH]1.
What is the InChIKey of N-[[2-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-oxazol-4-yl]methyl]propan-2-amine?
The InChIKey is RGWRVMREWFWDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7(2)12-5-9-6-16-11(13-9)17-10-4-8(3)14-15-10/h4,6-7,12H,5H2,1-3H3,(H,14,15).
What are the key properties of N-[[2-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-oxazol-4-yl]methyl]propan-2-amine?
N-[[2-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-oxazol-4-yl]methyl]propan-2-amine has a molecular weight of 236.27 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-oxazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 113378085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).