N-[N'-(1,3-benzoxazol-2-yl)-N-benzoylcarbamimidoyl]benzamide

C22H16N4O3 — CID 3846713

IUPACN-[N'-(1,3-benzoxazol-2-yl)-N-benzoylcarbamimidoyl]benzamide
SMILESO=C(NC(=Nc1nc2ccccc2o1)NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H16N4O3/c27-19(15-9-3-1-4-10-15)24-21(25-20(28)16-11-5-2-6-12-16)26-22-23-17-13-7-8-14-18(17)29-22/h1-14H,(H2,23,24,25,26,27,28)
InChIKeyIPXCLVGMBFZCFD-UHFFFAOYSA-N
MW384.40 g/mol
LogP3.68
Rot. Bonds3

About N-[N'-(1,3-benzoxazol-2-yl)-N-benzoylcarbamimidoyl]benzamide

N-[N'-(1,3-benzoxazol-2-yl)-N-benzoylcarbamimidoyl]benzamide (PubChem CID 3846713) has the molecular formula C22H16N4O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is N-[N'-(1,3-benzoxazol-2-yl)-N-benzoylcarbamimidoyl]benzamide.

Molecular Properties

Compound NameN-[N'-(1,3-benzoxazol-2-yl)-N-benzoylcarbamimidoyl]benzamide
PubChem CID3846713
Molecular FormulaC22H16N4O3
Molecular Weight384.40 g/mol
Exact Mass384.12
IUPAC NameN-[N'-(1,3-benzoxazol-2-yl)-N-benzoylcarbamimidoyl]benzamide
SMILESO=C(NC(=Nc1nc2ccccc2o1)NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H16N4O3/c27-19(15-9-3-1-4-10-15)24-21(25-20(28)16-11-5-2-6-12-16)26-22-23-17-13-7-8-14-18(17)29-22/h1-14H,(H2,23,24,25,26,27,28)
InChIKeyIPXCLVGMBFZCFD-UHFFFAOYSA-N
XLogP3.68
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[N'-(1,3-benzoxazol-2-yl)-N-benzoylcarbamimidoyl]benzamide 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 N-[N'-(1,3-benzoxazol-2-yl)-N-benzoylcarbamimidoyl]benzamide?
The IUPAC name of N-[N'-(1,3-benzoxazol-2-yl)-N-benzoylcarbamimidoyl]benzamide (CID 3846713) is N-[N'-(1,3-benzoxazol-2-yl)-N-benzoylcarbamimidoyl]benzamide.
What is the SMILES notation for N-[N'-(1,3-benzoxazol-2-yl)-N-benzoylcarbamimidoyl]benzamide?
The canonical SMILES for N-[N'-(1,3-benzoxazol-2-yl)-N-benzoylcarbamimidoyl]benzamide is O=C(NC(=Nc1nc2ccccc2o1)NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[N'-(1,3-benzoxazol-2-yl)-N-benzoylcarbamimidoyl]benzamide?
The InChIKey is IPXCLVGMBFZCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O3/c27-19(15-9-3-1-4-10-15)24-21(25-20(28)16-11-5-2-6-12-16)26-22-23-17-13-7-8-14-18(17)29-22/h1-14H,(H2,23,24,25,26,27,28).
What are the key properties of N-[N'-(1,3-benzoxazol-2-yl)-N-benzoylcarbamimidoyl]benzamide?
N-[N'-(1,3-benzoxazol-2-yl)-N-benzoylcarbamimidoyl]benzamide has a molecular weight of 384.40 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-(1,3-benzoxazol-2-yl)-N-benzoylcarbamimidoyl]benzamide is sourced from PubChem (CID 3846713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).