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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Related Compounds

1-(3-methyl-1,2-oxazol-5-yl)-3-[(5-methylpyrazin-2-yl)methyl]urea
CID 167862543
1-(furan-3-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 154857494
1-(3-methyl-1,2-oxazol-5-yl)-3-(2-pyrimidin-2-ylethyl)urea
CID 166274717
1-(pyridazin-3-ylmethyl)-3-[(4-trimethylsilylphenyl)methyl]urea
CID 122154804
1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 167772547
1-benzyl-3-(pyridazin-3-ylmethyl)urea
CID 106831656
2-chloro-N-(pyridazin-3-ylmethyl)propanamide
CID 106895464
3-methyl-4-(pyridazin-3-ylmethylcarbamoylamino)butanoic acid
CID 106897084
2-[(pyridazin-3-ylmethylcarbamoylamino)methyl]butanoic acid
CID 106897275
1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 167934119
1-(2-hydroxyethylamino)-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 90203017
1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(pyridazin-3-ylmethyl)urea
CID 171801159

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).