(2-oxo-3H-1,3-benzoxazol-6-yl)urea

C8H7N3O3 — CID 3067288

IUPAC(2-oxo-3H-1,3-benzoxazol-6-yl)urea
SMILESNC(=O)Nc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C8H7N3O3/c9-7(12)10-4-1-2-5-6(3-4)14-8(13)11-5/h1-3H,(H,11,13)(H3,9,10,12)
InChIKeyZBOYCVVPACPLDZ-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.61
Rot. Bonds1

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

(2-oxo-3H-1,3-benzoxazol-6-yl)urea (PubChem CID 3067288) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is (2-oxo-3H-1,3-benzoxazol-6-yl)urea.

Molecular Properties

Compound Name(2-oxo-3H-1,3-benzoxazol-6-yl)urea
PubChem CID3067288
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name(2-oxo-3H-1,3-benzoxazol-6-yl)urea
SMILESNC(=O)Nc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C8H7N3O3/c9-7(12)10-4-1-2-5-6(3-4)14-8(13)11-5/h1-3H,(H,11,13)(H3,9,10,12)
InChIKeyZBOYCVVPACPLDZ-UHFFFAOYSA-N
XLogP0.61
TPSA101.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2-oxo-3H-1,3-benzoxazol-6-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-oxo-3H-1,3-benzoxazol-6-yl)urea?
The IUPAC name of (2-oxo-3H-1,3-benzoxazol-6-yl)urea (CID 3067288) is (2-oxo-3H-1,3-benzoxazol-6-yl)urea.
What is the SMILES notation for (2-oxo-3H-1,3-benzoxazol-6-yl)urea?
The canonical SMILES for (2-oxo-3H-1,3-benzoxazol-6-yl)urea is NC(=O)Nc1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of (2-oxo-3H-1,3-benzoxazol-6-yl)urea?
The InChIKey is ZBOYCVVPACPLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c9-7(12)10-4-1-2-5-6(3-4)14-8(13)11-5/h1-3H,(H,11,13)(H3,9,10,12).
What are the key properties of (2-oxo-3H-1,3-benzoxazol-6-yl)urea?
(2-oxo-3H-1,3-benzoxazol-6-yl)urea has a molecular weight of 193.16 g/mol, XLogP of 0.61, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-3H-1,3-benzoxazol-6-yl)urea is sourced from PubChem (CID 3067288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).