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

C14H18N2O3 — CID 43335930

IUPAC3-(2-ethoxyethyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCCOCCc1noc(N)c1-c1ccc(OC)cc1
InChIInChI=1S/C14H18N2O3/c1-3-18-9-8-12-13(14(15)19-16-12)10-4-6-11(17-2)7-5-10/h4-7H,3,8-9,15H2,1-2H3
InChIKeyZHQQLACQSBNBKA-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.51
Rot. Bonds6

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

3-(2-ethoxyethyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 43335930) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
PubChem CID43335930
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-(2-ethoxyethyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCCOCCc1noc(N)c1-c1ccc(OC)cc1
InChIInChI=1S/C14H18N2O3/c1-3-18-9-8-12-13(14(15)19-16-12)10-4-6-11(17-2)7-5-10/h4-7H,3,8-9,15H2,1-2H3
InChIKeyZHQQLACQSBNBKA-UHFFFAOYSA-N
XLogP2.51
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(dimethylamino)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 20983312
3-[(4-ethylpiperazin-1-yl)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 20983318
3-(2,2-dimethylcyclopropyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 107001939
4-(4-fluorophenyl)-3-hexyl-1,2-oxazol-5-amine
CID 114753015
4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine
CID 46227182
2-ethoxyethyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 86914535
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-(4-bromophenyl)-3-(3-methylbutyl)-1,2-oxazol-5-amine
CID 43158073
4-(4-ethoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-amine
CID 43336169
3-(2-cyclopentylethyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 61263124
[5-(4-methoxyphenyl)-4-methyl-1,2-oxazol-3-yl]methanol
CID 54846669

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2-ethoxyethyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine (CID 43335930) is 3-(2-ethoxyethyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2-ethoxyethyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2-ethoxyethyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine is CCOCCc1noc(N)c1-c1ccc(OC)cc1.
What is the InChIKey of 3-(2-ethoxyethyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is ZHQQLACQSBNBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-18-9-8-12-13(14(15)19-16-12)10-4-6-11(17-2)7-5-10/h4-7H,3,8-9,15H2,1-2H3.
What are the key properties of 3-(2-ethoxyethyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine?
3-(2-ethoxyethyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 262.31 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43335930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).