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

C9H11N5O2 — CID 47322162

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-3-(1-methylpyrazol-4-yl)urea
SMILESCc1cc(NC(=O)Nc2cnn(C)c2)no1
InChIInChI=1S/C9H11N5O2/c1-6-3-8(13-16-6)12-9(15)11-7-4-10-14(2)5-7/h3-5H,1-2H3,(H2,11,12,13,15)
InChIKeyUIQKOUXZCADZEG-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.36
Rot. Bonds2

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

1-(5-methyl-1,2-oxazol-3-yl)-3-(1-methylpyrazol-4-yl)urea (PubChem CID 47322162) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-3-(1-methylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-3-(1-methylpyrazol-4-yl)urea
PubChem CID47322162
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-3-(1-methylpyrazol-4-yl)urea
SMILESCc1cc(NC(=O)Nc2cnn(C)c2)no1
InChIInChI=1S/C9H11N5O2/c1-6-3-8(13-16-6)12-9(15)11-7-4-10-14(2)5-7/h3-5H,1-2H3,(H2,11,12,13,15)
InChIKeyUIQKOUXZCADZEG-UHFFFAOYSA-N
XLogP1.36
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.36
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-methylpyrazol-4-yl)urea?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-(1-methylpyrazol-4-yl)urea (CID 47322162) is 1-(5-methyl-1,2-oxazol-3-yl)-3-(1-methylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-3-(1-methylpyrazol-4-yl)urea?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-3-(1-methylpyrazol-4-yl)urea is Cc1cc(NC(=O)Nc2cnn(C)c2)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-3-(1-methylpyrazol-4-yl)urea?
The InChIKey is UIQKOUXZCADZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-6-3-8(13-16-6)12-9(15)11-7-4-10-14(2)5-7/h3-5H,1-2H3,(H2,11,12,13,15).
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-3-(1-methylpyrazol-4-yl)urea?
1-(5-methyl-1,2-oxazol-3-yl)-3-(1-methylpyrazol-4-yl)urea has a molecular weight of 221.22 g/mol, XLogP of 1.36, 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-methylpyrazol-4-yl)urea is sourced from PubChem (CID 47322162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).