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

C15H16N4O2 — CID 107972766

IUPAC4-(4-ethoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
SMILESCCOc1ccc(-c2c(-c3cn(C)cn3)noc2N)cc1
InChIInChI=1S/C15H16N4O2/c1-3-20-11-6-4-10(5-7-11)13-14(18-21-15(13)16)12-8-19(2)9-17-12/h4-9H,3,16H2,1-2H3
InChIKeyZEXQJMPDQKTGAT-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.72
Rot. Bonds4

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

4-(4-ethoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine (PubChem CID 107972766) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
PubChem CID107972766
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name4-(4-ethoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
SMILESCCOc1ccc(-c2c(-c3cn(C)cn3)noc2N)cc1
InChIInChI=1S/C15H16N4O2/c1-3-20-11-6-4-10(5-7-11)13-14(18-21-15(13)16)12-8-19(2)9-17-12/h4-9H,3,16H2,1-2H3
InChIKeyZEXQJMPDQKTGAT-UHFFFAOYSA-N
XLogP2.72
TPSA79.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
CID 107972754
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
3-(3-chlorothiophen-2-yl)-4-(4-ethoxyphenyl)-1,2-oxazol-5-amine
CID 80645079
4-(4-ethoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-amine
CID 43336169
4-(4-ethoxyphenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine
CID 62677870
5-(4-ethoxyphenyl)-1,2-oxazol-3-amine
CID 27242742
4-(4-ethoxyphenyl)-5-methyl-1,2-oxazol-3-amine
CID 66199638
2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-amine
CID 82270966
5-(4-ethoxyphenyl)-3-methylimidazol-4-amine
CID 62018469
3-(4-ethoxyphenyl)-1-propan-2-ylpyrazol-4-amine
CID 83222885

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(4-ethoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine (CID 107972766) is 4-(4-ethoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(4-ethoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(4-ethoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine is CCOc1ccc(-c2c(-c3cn(C)cn3)noc2N)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine?
The InChIKey is ZEXQJMPDQKTGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-3-20-11-6-4-10(5-7-11)13-14(18-21-15(13)16)12-8-19(2)9-17-12/h4-9H,3,16H2,1-2H3.
What are the key properties of 4-(4-ethoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine?
4-(4-ethoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine has a molecular weight of 284.32 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 107972766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).