2-(cyclohexen-1-yl)-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine

C20H26N2O2 — CID 56676258

IUPAC2-(cyclohexen-1-yl)-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCOc1ccc(-c2nc(CNCCC3=CCCCC3)co2)cc1
InChIInChI=1S/C20H26N2O2/c1-2-23-19-10-8-17(9-11-19)20-22-18(15-24-20)14-21-13-12-16-6-4-3-5-7-16/h6,8-11,15,21H,2-5,7,12-14H2,1H3
InChIKeyIHLZRGYRCHFIEW-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.72
Rot. Bonds8

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

2-(cyclohexen-1-yl)-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine (PubChem CID 56676258) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
PubChem CID56676258
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-(cyclohexen-1-yl)-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCOc1ccc(-c2nc(CNCCC3=CCCCC3)co2)cc1
InChIInChI=1S/C20H26N2O2/c1-2-23-19-10-8-17(9-11-19)20-22-18(15-24-20)14-21-13-12-16-6-4-3-5-7-16/h6,8-11,15,21H,2-5,7,12-14H2,1H3
InChIKeyIHLZRGYRCHFIEW-UHFFFAOYSA-N
XLogP4.72
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dimethoxyphenyl)-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 56659063
N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-phenoxyethanamine
CID 56679919
N-[2-(cyclohexen-1-yl)ethyl]-2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide
CID 4174347
1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
CID 56668338
N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-2-pyrrolidin-1-ylethanamine
CID 56669366
2-(cyclohexen-1-yl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 43766350
2-(cyclopenten-1-yl)-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine
CID 114268637
4-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]-2-(4-ethoxyphenyl)-1,3-oxazole
CID 136564269
2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109299417
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25238154
3-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methylamino]-4,4-dimethylpyrrolidin-2-one
CID 136563378
2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethanol
CID 110884956

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine (CID 56676258) is 2-(cyclohexen-1-yl)-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine is CCOc1ccc(-c2nc(CNCCC3=CCCCC3)co2)cc1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The InChIKey is IHLZRGYRCHFIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-2-23-19-10-8-17(9-11-19)20-22-18(15-24-20)14-21-13-12-16-6-4-3-5-7-16/h6,8-11,15,21H,2-5,7,12-14H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
2-(cyclohexen-1-yl)-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine has a molecular weight of 326.44 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 56676258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).