2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine

C16H22N2O3 — CID 65182714

IUPAC2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
SMILESCCOc1ccc(-c2cnc(CCNCCOC)o2)cc1
InChIInChI=1S/C16H22N2O3/c1-3-20-14-6-4-13(5-7-14)15-12-18-16(21-15)8-9-17-10-11-19-2/h4-7,12,17H,3,8-11H2,1-2H3
InChIKeyZYRBWISWIFPSLS-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.52
Rot. Bonds9

About 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine

2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine (PubChem CID 65182714) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
PubChem CID65182714
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
SMILESCCOc1ccc(-c2cnc(CCNCCOC)o2)cc1
InChIInChI=1S/C16H22N2O3/c1-3-20-14-6-4-13(5-7-14)15-12-18-16(21-15)8-9-17-10-11-19-2/h4-7,12,17H,3,8-11H2,1-2H3
InChIKeyZYRBWISWIFPSLS-UHFFFAOYSA-N
XLogP2.52
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.52
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

2-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 65182137
2-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 107952761
2-[5-(5-chlorofuran-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 106690356
3-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187422
[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 65179378
2-[5-(2-chlorofuran-3-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 106690357
2-[5-(3-bromo-5-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 107941918
2-[5-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 65182090
3-[5-(furan-3-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 65184897
3-[5-(3-bromo-4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 81475753
3-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 65185146
2-[5-(2,5-difluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 65182376

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine (CID 65182714) is 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine is CCOc1ccc(-c2cnc(CCNCCOC)o2)cc1.
What is the InChIKey of 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine?
The InChIKey is ZYRBWISWIFPSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-20-14-6-4-13(5-7-14)15-12-18-16(21-15)8-9-17-10-11-19-2/h4-7,12,17H,3,8-11H2,1-2H3.
What are the key properties of 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine?
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine has a molecular weight of 290.36 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 65182714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).