2-[(4-pentyl-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine;hydrochloride

C16H23ClN2O2 — CID 19596686

IUPAC2-[(4-pentyl-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine;hydrochloride
SMILESCCCCCc1c(OCCN)noc1-c1ccccc1.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-2-3-5-10-14-15(13-8-6-4-7-9-13)20-18-16(14)19-12-11-17;/h4,6-9H,2-3,5,10-12,17H2,1H3;1H
InChIKeyBOJUVSZONRAGLC-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.83
Rot. Bonds8

About 2-[(4-pentyl-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine;hydrochloride

2-[(4-pentyl-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine;hydrochloride (PubChem CID 19596686) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 2-[(4-pentyl-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[(4-pentyl-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine;hydrochloride
PubChem CID19596686
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Name2-[(4-pentyl-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine;hydrochloride
SMILESCCCCCc1c(OCCN)noc1-c1ccccc1.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-2-3-5-10-14-15(13-8-6-4-7-9-13)20-18-16(14)19-12-11-17;/h4,6-9H,2-3,5,10-12,17H2,1H3;1H
InChIKeyBOJUVSZONRAGLC-UHFFFAOYSA-N
XLogP3.83
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-iodo-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine
CID 19596727
2-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine;2H-triazole;hydrochloride
CID 174392250
3-chloro-5-phenyl-4-propyl-1,2-oxazole
CID 91731597
2-[(7-phenyl-1,2-benzoxazol-3-yl)oxy]ethanamine
CID 10377607
4-(3-methyl-5-phenyl-1,2-oxazol-4-yl)butanamide
CID 123973953
tert-butyl N-[2-[[4-(2-methylpropyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate
CID 19596701
2-(4-heptylphenoxy)ethanamine;hydrochloride
CID 164576424
3-methyl-5-pentyl-2-phenylfuran
CID 10846976
5-pentyl-3-phenyl-1,2,4-oxadiazole
CID 19658049
3-[3-(3-hydroxypropoxy)-2-pentyl-5-phenylphenoxy]propan-1-ol
CID 130301437
4-benzyl-3-methyl-5-phenyl-1,2-oxazole
CID 14978502
5-hexyl-3-phenyl-1,2-oxazole
CID 15445646

Frequently Asked Questions

What is the IUPAC name of 2-[(4-pentyl-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine;hydrochloride?
The IUPAC name of 2-[(4-pentyl-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine;hydrochloride (CID 19596686) is 2-[(4-pentyl-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine;hydrochloride.
What is the SMILES notation for 2-[(4-pentyl-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine;hydrochloride?
The canonical SMILES for 2-[(4-pentyl-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine;hydrochloride is CCCCCc1c(OCCN)noc1-c1ccccc1.Cl.
What is the InChIKey of 2-[(4-pentyl-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine;hydrochloride?
The InChIKey is BOJUVSZONRAGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2.ClH/c1-2-3-5-10-14-15(13-8-6-4-7-9-13)20-18-16(14)19-12-11-17;/h4,6-9H,2-3,5,10-12,17H2,1H3;1H.
What are the key properties of 2-[(4-pentyl-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine;hydrochloride?
2-[(4-pentyl-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine;hydrochloride has a molecular weight of 310.83 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-pentyl-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine;hydrochloride is sourced from PubChem (CID 19596686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).