1-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)urea

C10H11N3O2 — CID 2824070

IUPAC1-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)urea
SMILESCNC(=O)Nc1ccc2nc(C)oc2c1
InChIInChI=1S/C10H11N3O2/c1-6-12-8-4-3-7(5-9(8)15-6)13-10(14)11-2/h3-5H,1-2H3,(H2,11,13,14)
InChIKeyRYDBLBQQKQBVJV-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.89
Rot. Bonds1

About 1-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)urea

1-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)urea (PubChem CID 2824070) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 1-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)urea.

Molecular Properties

Compound Name1-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)urea
PubChem CID2824070
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name1-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)urea
SMILESCNC(=O)Nc1ccc2nc(C)oc2c1
InChIInChI=1S/C10H11N3O2/c1-6-12-8-4-3-7(5-9(8)15-6)13-10(14)11-2/h3-5H,1-2H3,(H2,11,13,14)
InChIKeyRYDBLBQQKQBVJV-UHFFFAOYSA-N
XLogP1.89
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)urea?
The IUPAC name of 1-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)urea (CID 2824070) is 1-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)urea.
What is the SMILES notation for 1-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)urea?
The canonical SMILES for 1-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)urea is CNC(=O)Nc1ccc2nc(C)oc2c1.
What is the InChIKey of 1-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)urea?
The InChIKey is RYDBLBQQKQBVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-6-12-8-4-3-7(5-9(8)15-6)13-10(14)11-2/h3-5H,1-2H3,(H2,11,13,14).
What are the key properties of 1-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)urea?
1-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)urea has a molecular weight of 205.22 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)urea is sourced from PubChem (CID 2824070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).