4-(4-methoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine

C14H14N4O2 — CID 107972754

IUPAC4-(4-methoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2c(-c3cn(C)cn3)noc2N)cc1
InChIInChI=1S/C14H14N4O2/c1-18-7-11(16-8-18)13-12(14(15)20-17-13)9-3-5-10(19-2)6-4-9/h3-8H,15H2,1-2H3
InChIKeyLMYOYJNZKJJFIN-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.33
Rot. Bonds3

About 4-(4-methoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine

4-(4-methoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine (PubChem CID 107972754) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
PubChem CID107972754
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name4-(4-methoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2c(-c3cn(C)cn3)noc2N)cc1
InChIInChI=1S/C14H14N4O2/c1-18-7-11(16-8-18)13-12(14(15)20-17-13)9-3-5-10(19-2)6-4-9/h3-8H,15H2,1-2H3
InChIKeyLMYOYJNZKJJFIN-UHFFFAOYSA-N
XLogP2.33
TPSA79.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-ethoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
CID 107972766
4-(4-bromophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
CID 107972748
3-(1-methylimidazol-4-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 114022695
4-(2,6-dichlorophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
CID 107972739
4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine
CID 46227182
3-(5-chlorofuran-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 106687953
3-(5-bromofuran-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 43335944
4-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
CID 103119565
3-(5-bromo-2-methylphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine;ethane
CID 144602769
3-(2-fluoro-4-methoxyphenyl)-4-phenyl-1,2-oxazol-5-amine
CID 102883442
3-(3-bromothiophen-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 63798656
3-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 123307499

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(4-methoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine (CID 107972754) is 4-(4-methoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine is COc1ccc(-c2c(-c3cn(C)cn3)noc2N)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine?
The InChIKey is LMYOYJNZKJJFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-18-7-11(16-8-18)13-12(14(15)20-17-13)9-3-5-10(19-2)6-4-9/h3-8H,15H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine?
4-(4-methoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine has a molecular weight of 270.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 107972754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).