1-(1H-indazol-6-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea

C12H11N5O2 — CID 108812161

IUPAC1-(1H-indazol-6-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2ccc3cn[nH]c3c2)no1
InChIInChI=1S/C12H11N5O2/c1-7-4-11(17-19-7)15-12(18)14-9-3-2-8-6-13-16-10(8)5-9/h2-6H,1H3,(H,13,16)(H2,14,15,17,18)
InChIKeyLOSHYKQBGFFVHW-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.50
Rot. Bonds2

About 1-(1H-indazol-6-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea

1-(1H-indazol-6-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 108812161) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is 1-(1H-indazol-6-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(1H-indazol-6-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID108812161
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Name1-(1H-indazol-6-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2ccc3cn[nH]c3c2)no1
InChIInChI=1S/C12H11N5O2/c1-7-4-11(17-19-7)15-12(18)14-9-3-2-8-6-13-16-10(8)5-9/h2-6H,1H3,(H,13,16)(H2,14,15,17,18)
InChIKeyLOSHYKQBGFFVHW-UHFFFAOYSA-N
XLogP2.50
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-6-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(1H-indazol-6-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 108812161) is 1-(1H-indazol-6-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(1H-indazol-6-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(1H-indazol-6-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea is Cc1cc(NC(=O)Nc2ccc3cn[nH]c3c2)no1.
What is the InChIKey of 1-(1H-indazol-6-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is LOSHYKQBGFFVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c1-7-4-11(17-19-7)15-12(18)14-9-3-2-8-6-13-16-10(8)5-9/h2-6H,1H3,(H,13,16)(H2,14,15,17,18).
What are the key properties of 1-(1H-indazol-6-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-(1H-indazol-6-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 257.25 g/mol, XLogP of 2.50, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-6-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 108812161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).