1-(5-methyl-1,2-oxazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)urea

C11H15N5O2 — CID 24616527

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)urea
SMILESCc1cc(NC(=O)Nc2c(C)nn(C)c2C)no1
InChIInChI=1S/C11H15N5O2/c1-6-5-9(15-18-6)12-11(17)13-10-7(2)14-16(4)8(10)3/h5H,1-4H3,(H2,12,13,15,17)
InChIKeyOQXWDPIKBYSJFP-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.98
Rot. Bonds2

About 1-(5-methyl-1,2-oxazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)urea

1-(5-methyl-1,2-oxazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)urea (PubChem CID 24616527) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)urea
PubChem CID24616527
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)urea
SMILESCc1cc(NC(=O)Nc2c(C)nn(C)c2C)no1
InChIInChI=1S/C11H15N5O2/c1-6-5-9(15-18-6)12-11(17)13-10-7(2)14-16(4)8(10)3/h5H,1-4H3,(H2,12,13,15,17)
InChIKeyOQXWDPIKBYSJFP-UHFFFAOYSA-N
XLogP1.98
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)urea?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)urea (CID 24616527) is 1-(5-methyl-1,2-oxazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)urea?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)urea is Cc1cc(NC(=O)Nc2c(C)nn(C)c2C)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)urea?
The InChIKey is OQXWDPIKBYSJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-6-5-9(15-18-6)12-11(17)13-10-7(2)14-16(4)8(10)3/h5H,1-4H3,(H2,12,13,15,17).
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)urea?
1-(5-methyl-1,2-oxazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)urea has a molecular weight of 249.27 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)urea is sourced from PubChem (CID 24616527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).