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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Related Compounds

4-[4-(3-bromophenyl)-1-ethylimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 174493410
2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-ol
CID 69299704
[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-yl]carbamic acid
CID 68969988
ethyl 4-(3-chlorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate
CID 156643880
1-benzyl-4-(3-chlorophenyl)-2-(4-chlorophenyl)imidazole
CID 163216978
2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethyl-N-pyrrolidin-1-ylimidazo[4,5-c]pyridine-7-carboxamide
CID 68898586
5-(3-chlorophenyl)-3-ethyl-2-phenylimidazol-4-amine
CID 63468761
3-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]propane-1,2-diol
CID 69299114
2-(3-chlorophenyl)imidazo[1,2-a]pyrimidin-7-amine
CID 67388301
1-ethyl-2-[3-[1-ethyl-4-(4-methoxyphenyl)imidazol-2-yl]phenyl]-4-(4-methoxyphenyl)imidazole
CID 118529894
[2-(3-chlorophenyl)-1-methylimidazol-4-yl]methanamine
CID 82286802
3-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 3382841

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).