4-(2-imidazol-1-ylphenyl)-1,2-oxazol-5-amine

C12H10N4O — CID 117325152

IUPAC4-(2-imidazol-1-ylphenyl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1ccccc1-n1ccnc1
InChIInChI=1S/C12H10N4O/c13-12-10(7-15-17-12)9-3-1-2-4-11(9)16-6-5-14-8-16/h1-8H,13H2
InChIKeyHDRVBVHWYHSYKI-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.11
Rot. Bonds2

About 4-(2-imidazol-1-ylphenyl)-1,2-oxazol-5-amine

4-(2-imidazol-1-ylphenyl)-1,2-oxazol-5-amine (PubChem CID 117325152) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-(2-imidazol-1-ylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-imidazol-1-ylphenyl)-1,2-oxazol-5-amine
PubChem CID117325152
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name4-(2-imidazol-1-ylphenyl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1ccccc1-n1ccnc1
InChIInChI=1S/C12H10N4O/c13-12-10(7-15-17-12)9-3-1-2-4-11(9)16-6-5-14-8-16/h1-8H,13H2
InChIKeyHDRVBVHWYHSYKI-UHFFFAOYSA-N
XLogP2.11
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-imidazol-1-ylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-imidazol-1-ylphenyl)-1,2-oxazol-5-amine (CID 117325152) is 4-(2-imidazol-1-ylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-imidazol-1-ylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-imidazol-1-ylphenyl)-1,2-oxazol-5-amine is Nc1oncc1-c1ccccc1-n1ccnc1.
What is the InChIKey of 4-(2-imidazol-1-ylphenyl)-1,2-oxazol-5-amine?
The InChIKey is HDRVBVHWYHSYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c13-12-10(7-15-17-12)9-3-1-2-4-11(9)16-6-5-14-8-16/h1-8H,13H2.
What are the key properties of 4-(2-imidazol-1-ylphenyl)-1,2-oxazol-5-amine?
4-(2-imidazol-1-ylphenyl)-1,2-oxazol-5-amine has a molecular weight of 226.24 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-imidazol-1-ylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117325152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).