1-(3-methyl-1,2-oxazol-5-yl)-3-(pyridazin-3-ylmethyl)urea

C10H11N5O2 — CID 154863683

IUPAC1-(3-methyl-1,2-oxazol-5-yl)-3-(pyridazin-3-ylmethyl)urea
SMILESCc1cc(NC(=O)NCc2cccnn2)on1
InChIInChI=1S/C10H11N5O2/c1-7-5-9(17-15-7)13-10(16)11-6-8-3-2-4-12-14-8/h2-5H,6H2,1H3,(H2,11,13,16)
InChIKeyUNKWVTZZCPGYLJ-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.09
Rot. Bonds3

About 1-(3-methyl-1,2-oxazol-5-yl)-3-(pyridazin-3-ylmethyl)urea

1-(3-methyl-1,2-oxazol-5-yl)-3-(pyridazin-3-ylmethyl)urea (PubChem CID 154863683) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-(3-methyl-1,2-oxazol-5-yl)-3-(pyridazin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(3-methyl-1,2-oxazol-5-yl)-3-(pyridazin-3-ylmethyl)urea
PubChem CID154863683
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name1-(3-methyl-1,2-oxazol-5-yl)-3-(pyridazin-3-ylmethyl)urea
SMILESCc1cc(NC(=O)NCc2cccnn2)on1
InChIInChI=1S/C10H11N5O2/c1-7-5-9(17-15-7)13-10(16)11-6-8-3-2-4-12-14-8/h2-5H,6H2,1H3,(H2,11,13,16)
InChIKeyUNKWVTZZCPGYLJ-UHFFFAOYSA-N
XLogP1.09
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2-oxazol-5-yl)-3-(pyridazin-3-ylmethyl)urea?
The IUPAC name of 1-(3-methyl-1,2-oxazol-5-yl)-3-(pyridazin-3-ylmethyl)urea (CID 154863683) is 1-(3-methyl-1,2-oxazol-5-yl)-3-(pyridazin-3-ylmethyl)urea.
What is the SMILES notation for 1-(3-methyl-1,2-oxazol-5-yl)-3-(pyridazin-3-ylmethyl)urea?
The canonical SMILES for 1-(3-methyl-1,2-oxazol-5-yl)-3-(pyridazin-3-ylmethyl)urea is Cc1cc(NC(=O)NCc2cccnn2)on1.
What is the InChIKey of 1-(3-methyl-1,2-oxazol-5-yl)-3-(pyridazin-3-ylmethyl)urea?
The InChIKey is UNKWVTZZCPGYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-7-5-9(17-15-7)13-10(16)11-6-8-3-2-4-12-14-8/h2-5H,6H2,1H3,(H2,11,13,16).
What are the key properties of 1-(3-methyl-1,2-oxazol-5-yl)-3-(pyridazin-3-ylmethyl)urea?
1-(3-methyl-1,2-oxazol-5-yl)-3-(pyridazin-3-ylmethyl)urea has a molecular weight of 233.23 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2-oxazol-5-yl)-3-(pyridazin-3-ylmethyl)urea is sourced from PubChem (CID 154863683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).