4-[4-(3-chlorophenyl)-1-ethylimidazol-2-yl]-1,2,5-oxadiazol-3-amine

C13H12ClN5O — CID 174493446

IUPAC4-[4-(3-chlorophenyl)-1-ethylimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCCn1cc(-c2cccc(Cl)c2)nc1-c1nonc1N
InChIInChI=1S/C13H12ClN5O/c1-2-19-7-10(8-4-3-5-9(14)6-8)16-13(19)11-12(15)18-20-17-11/h3-7H,2H2,1H3,(H2,15,18)
InChIKeyRYKSHCHWXLIOAV-UHFFFAOYSA-N
MW289.73 g/mol
LogP2.86
Rot. Bonds3

About 4-[4-(3-chlorophenyl)-1-ethylimidazol-2-yl]-1,2,5-oxadiazol-3-amine

4-[4-(3-chlorophenyl)-1-ethylimidazol-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 174493446) has the molecular formula C13H12ClN5O and a molecular weight of 289.73 g/mol. Its IUPAC name is 4-[4-(3-chlorophenyl)-1-ethylimidazol-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[4-(3-chlorophenyl)-1-ethylimidazol-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID174493446
Molecular FormulaC13H12ClN5O
Molecular Weight289.73 g/mol
Exact Mass289.07
IUPAC Name4-[4-(3-chlorophenyl)-1-ethylimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCCn1cc(-c2cccc(Cl)c2)nc1-c1nonc1N
InChIInChI=1S/C13H12ClN5O/c1-2-19-7-10(8-4-3-5-9(14)6-8)16-13(19)11-12(15)18-20-17-11/h3-7H,2H2,1H3,(H2,15,18)
InChIKeyRYKSHCHWXLIOAV-UHFFFAOYSA-N
XLogP2.86
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chlorophenyl)-1-ethylimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[4-(3-chlorophenyl)-1-ethylimidazol-2-yl]-1,2,5-oxadiazol-3-amine (CID 174493446) is 4-[4-(3-chlorophenyl)-1-ethylimidazol-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[4-(3-chlorophenyl)-1-ethylimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[4-(3-chlorophenyl)-1-ethylimidazol-2-yl]-1,2,5-oxadiazol-3-amine is CCn1cc(-c2cccc(Cl)c2)nc1-c1nonc1N.
What is the InChIKey of 4-[4-(3-chlorophenyl)-1-ethylimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is RYKSHCHWXLIOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O/c1-2-19-7-10(8-4-3-5-9(14)6-8)16-13(19)11-12(15)18-20-17-11/h3-7H,2H2,1H3,(H2,15,18).
What are the key properties of 4-[4-(3-chlorophenyl)-1-ethylimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
4-[4-(3-chlorophenyl)-1-ethylimidazol-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 289.73 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chlorophenyl)-1-ethylimidazol-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 174493446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).