1-(1,3-benzoxazol-6-yl)-3-phenylurea

C14H11N3O2 — CID 3845234

IUPAC1-(1,3-benzoxazol-6-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc2ncoc2c1
InChIInChI=1S/C14H11N3O2/c18-14(16-10-4-2-1-3-5-10)17-11-6-7-12-13(8-11)19-9-15-12/h1-9H,(H2,16,17,18)
InChIKeyLVYYYGYPLRINRU-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.47
Rot. Bonds2

About 1-(1,3-benzoxazol-6-yl)-3-phenylurea

1-(1,3-benzoxazol-6-yl)-3-phenylurea (PubChem CID 3845234) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-6-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(1,3-benzoxazol-6-yl)-3-phenylurea
PubChem CID3845234
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name1-(1,3-benzoxazol-6-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc2ncoc2c1
InChIInChI=1S/C14H11N3O2/c18-14(16-10-4-2-1-3-5-10)17-11-6-7-12-13(8-11)19-9-15-12/h1-9H,(H2,16,17,18)
InChIKeyLVYYYGYPLRINRU-UHFFFAOYSA-N
XLogP3.47
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-6-yl)-3-phenylurea?
The IUPAC name of 1-(1,3-benzoxazol-6-yl)-3-phenylurea (CID 3845234) is 1-(1,3-benzoxazol-6-yl)-3-phenylurea.
What is the SMILES notation for 1-(1,3-benzoxazol-6-yl)-3-phenylurea?
The canonical SMILES for 1-(1,3-benzoxazol-6-yl)-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc2ncoc2c1.
What is the InChIKey of 1-(1,3-benzoxazol-6-yl)-3-phenylurea?
The InChIKey is LVYYYGYPLRINRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-14(16-10-4-2-1-3-5-10)17-11-6-7-12-13(8-11)19-9-15-12/h1-9H,(H2,16,17,18).
What are the key properties of 1-(1,3-benzoxazol-6-yl)-3-phenylurea?
1-(1,3-benzoxazol-6-yl)-3-phenylurea has a molecular weight of 253.26 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-6-yl)-3-phenylurea is sourced from PubChem (CID 3845234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).