N-(4-aminophenyl)-1,3-oxazole-4-carboxamide

C10H9N3O2 — CID 22612942

IUPACN-(4-aminophenyl)-1,3-oxazole-4-carboxamide
SMILESNc1ccc(NC(=O)c2cocn2)cc1
InChIInChI=1S/C10H9N3O2/c11-7-1-3-8(4-2-7)13-10(14)9-5-15-6-12-9/h1-6H,11H2,(H,13,14)
InChIKeyRPKYMIBHHCYBLG-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.51
Rot. Bonds2

About N-(4-aminophenyl)-1,3-oxazole-4-carboxamide

N-(4-aminophenyl)-1,3-oxazole-4-carboxamide (PubChem CID 22612942) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is N-(4-aminophenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-1,3-oxazole-4-carboxamide
PubChem CID22612942
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC NameN-(4-aminophenyl)-1,3-oxazole-4-carboxamide
SMILESNc1ccc(NC(=O)c2cocn2)cc1
InChIInChI=1S/C10H9N3O2/c11-7-1-3-8(4-2-7)13-10(14)9-5-15-6-12-9/h1-6H,11H2,(H,13,14)
InChIKeyRPKYMIBHHCYBLG-UHFFFAOYSA-N
XLogP1.51
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(4-aminophenyl)-1,3-oxazole-4-carboxamide (CID 22612942) is N-(4-aminophenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-1,3-oxazole-4-carboxamide is Nc1ccc(NC(=O)c2cocn2)cc1.
What is the InChIKey of N-(4-aminophenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is RPKYMIBHHCYBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c11-7-1-3-8(4-2-7)13-10(14)9-5-15-6-12-9/h1-6H,11H2,(H,13,14).
What are the key properties of N-(4-aminophenyl)-1,3-oxazole-4-carboxamide?
N-(4-aminophenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 203.20 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 22612942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).