5-[3-(4,5-dihydroimidazol-1-yl)phenyl]-1,2-oxazol-3-amine

C12H12N4O — CID 117328747

IUPAC5-[3-(4,5-dihydroimidazol-1-yl)phenyl]-1,2-oxazol-3-amine
SMILESNc1cc(-c2cccc(N3C=NCC3)c2)on1
InChIInChI=1S/C12H12N4O/c13-12-7-11(17-15-12)9-2-1-3-10(6-9)16-5-4-14-8-16/h1-3,6-8H,4-5H2,(H2,13,15)
InChIKeyNFCRSKPCHGRSJQ-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.77
Rot. Bonds2

About 5-[3-(4,5-dihydroimidazol-1-yl)phenyl]-1,2-oxazol-3-amine

5-[3-(4,5-dihydroimidazol-1-yl)phenyl]-1,2-oxazol-3-amine (PubChem CID 117328747) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is 5-[3-(4,5-dihydroimidazol-1-yl)phenyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[3-(4,5-dihydroimidazol-1-yl)phenyl]-1,2-oxazol-3-amine
PubChem CID117328747
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC Name5-[3-(4,5-dihydroimidazol-1-yl)phenyl]-1,2-oxazol-3-amine
SMILESNc1cc(-c2cccc(N3C=NCC3)c2)on1
InChIInChI=1S/C12H12N4O/c13-12-7-11(17-15-12)9-2-1-3-10(6-9)16-5-4-14-8-16/h1-3,6-8H,4-5H2,(H2,13,15)
InChIKeyNFCRSKPCHGRSJQ-UHFFFAOYSA-N
XLogP1.77
TPSA67.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4,5-dihydroimidazol-1-yl)phenyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[3-(4,5-dihydroimidazol-1-yl)phenyl]-1,2-oxazol-3-amine (CID 117328747) is 5-[3-(4,5-dihydroimidazol-1-yl)phenyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[3-(4,5-dihydroimidazol-1-yl)phenyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[3-(4,5-dihydroimidazol-1-yl)phenyl]-1,2-oxazol-3-amine is Nc1cc(-c2cccc(N3C=NCC3)c2)on1.
What is the InChIKey of 5-[3-(4,5-dihydroimidazol-1-yl)phenyl]-1,2-oxazol-3-amine?
The InChIKey is NFCRSKPCHGRSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c13-12-7-11(17-15-12)9-2-1-3-10(6-9)16-5-4-14-8-16/h1-3,6-8H,4-5H2,(H2,13,15).
What are the key properties of 5-[3-(4,5-dihydroimidazol-1-yl)phenyl]-1,2-oxazol-3-amine?
5-[3-(4,5-dihydroimidazol-1-yl)phenyl]-1,2-oxazol-3-amine has a molecular weight of 228.26 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4,5-dihydroimidazol-1-yl)phenyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117328747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).