4-amino-N-(1,2-oxazol-5-ylcarbamoyl)benzamide

C11H10N4O3 — CID 108814146

IUPAC4-amino-N-(1,2-oxazol-5-ylcarbamoyl)benzamide
SMILESNc1ccc(C(=O)NC(=O)Nc2ccno2)cc1
InChIInChI=1S/C11H10N4O3/c12-8-3-1-7(2-4-8)10(16)15-11(17)14-9-5-6-13-18-9/h1-6H,12H2,(H2,14,15,16,17)
InChIKeyKUWXKLSDXMPEKG-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.22
Rot. Bonds2

About 4-amino-N-(1,2-oxazol-5-ylcarbamoyl)benzamide

4-amino-N-(1,2-oxazol-5-ylcarbamoyl)benzamide (PubChem CID 108814146) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 4-amino-N-(1,2-oxazol-5-ylcarbamoyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(1,2-oxazol-5-ylcarbamoyl)benzamide
PubChem CID108814146
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name4-amino-N-(1,2-oxazol-5-ylcarbamoyl)benzamide
SMILESNc1ccc(C(=O)NC(=O)Nc2ccno2)cc1
InChIInChI=1S/C11H10N4O3/c12-8-3-1-7(2-4-8)10(16)15-11(17)14-9-5-6-13-18-9/h1-6H,12H2,(H2,14,15,16,17)
InChIKeyKUWXKLSDXMPEKG-UHFFFAOYSA-N
XLogP1.22
TPSA110.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(furan-2-ylcarbamoyl)benzamide
CID 108868549
4-amino-N-[(2-chloro-6-fluorophenyl)carbamoyl]benzamide
CID 108896594
N-[(3-acetamidophenyl)carbamoyl]-4-aminobenzamide
CID 108884186
4-amino-N-(2-methylpropylcarbamoyl)benzamide
CID 108867331
4-amino-N-[[4-(methanesulfonamido)phenyl]carbamoyl]benzamide
CID 108875346
2-(1,2-oxazol-5-ylcarbamoylamino)benzamide
CID 108814132
1-(1,2-oxazol-5-yl)-3-(2,4,6-trimethylphenyl)urea
CID 108814001
4-amino-N-pyridazin-3-ylbenzamide
CID 116785969
4-amino-N-(cyclopentylcarbamoyl)benzamide
CID 108902754
1-(4-nitrophenyl)-3-(1,2-oxazol-5-yl)urea
CID 108814006
4-(4-aminophenyl)-N-methylbenzamide
CID 91665695
methyl 2-(1,2-oxazol-5-ylcarbamoylamino)benzoate
CID 108814002

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,2-oxazol-5-ylcarbamoyl)benzamide?
The IUPAC name of 4-amino-N-(1,2-oxazol-5-ylcarbamoyl)benzamide (CID 108814146) is 4-amino-N-(1,2-oxazol-5-ylcarbamoyl)benzamide.
What is the SMILES notation for 4-amino-N-(1,2-oxazol-5-ylcarbamoyl)benzamide?
The canonical SMILES for 4-amino-N-(1,2-oxazol-5-ylcarbamoyl)benzamide is Nc1ccc(C(=O)NC(=O)Nc2ccno2)cc1.
What is the InChIKey of 4-amino-N-(1,2-oxazol-5-ylcarbamoyl)benzamide?
The InChIKey is KUWXKLSDXMPEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c12-8-3-1-7(2-4-8)10(16)15-11(17)14-9-5-6-13-18-9/h1-6H,12H2,(H2,14,15,16,17).
What are the key properties of 4-amino-N-(1,2-oxazol-5-ylcarbamoyl)benzamide?
4-amino-N-(1,2-oxazol-5-ylcarbamoyl)benzamide has a molecular weight of 246.23 g/mol, XLogP of 1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,2-oxazol-5-ylcarbamoyl)benzamide is sourced from PubChem (CID 108814146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).