3-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methylamino]hex-5-en-3-ol

C17H22N2O2 — CID 134232686

IUPAC3-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methylamino]hex-5-en-3-ol
SMILESC=CCC(C)(O)CCNCc1cc(-c2ccccc2)on1
InChIInChI=1S/C17H22N2O2/c1-3-9-17(2,20)10-11-18-13-15-12-16(21-19-15)14-7-5-4-6-8-14/h3-8,12,18,20H,1,9-11,13H2,2H3
InChIKeyIRUYQIACKZKMJD-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.15
Rot. Bonds8

About 3-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methylamino]hex-5-en-3-ol

3-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methylamino]hex-5-en-3-ol (PubChem CID 134232686) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methylamino]hex-5-en-3-ol.

Molecular Properties

Compound Name3-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methylamino]hex-5-en-3-ol
PubChem CID134232686
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methylamino]hex-5-en-3-ol
SMILESC=CCC(C)(O)CCNCc1cc(-c2ccccc2)on1
InChIInChI=1S/C17H22N2O2/c1-3-9-17(2,20)10-11-18-13-15-12-16(21-19-15)14-7-5-4-6-8-14/h3-8,12,18,20H,1,9-11,13H2,2H3
InChIKeyIRUYQIACKZKMJD-UHFFFAOYSA-N
XLogP3.15
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
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

N-[(5-phenyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine
CID 162624310
2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propan-2-amine
CID 112723924
2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
CID 111609864
2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine;hydroiodide
CID 111609863
2-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]-3-propylguanidine;hydroiodide
CID 111226744
2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 16866545
2-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]-3-(2-phenylsulfanylethyl)guanidine
CID 111372941
2,3-dimethyl-2-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]butane-1,2-diamine;hydrochloride
CID 120966482
N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide
CID 16867478
1-(3,3-dimethylcyclohexyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]methanamine
CID 170752460
3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
CID 60988202
cis-(1S,2R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 95150035

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methylamino]hex-5-en-3-ol?
The IUPAC name of 3-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methylamino]hex-5-en-3-ol (CID 134232686) is 3-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methylamino]hex-5-en-3-ol.
What is the SMILES notation for 3-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methylamino]hex-5-en-3-ol?
The canonical SMILES for 3-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methylamino]hex-5-en-3-ol is C=CCC(C)(O)CCNCc1cc(-c2ccccc2)on1.
What is the InChIKey of 3-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methylamino]hex-5-en-3-ol?
The InChIKey is IRUYQIACKZKMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-9-17(2,20)10-11-18-13-15-12-16(21-19-15)14-7-5-4-6-8-14/h3-8,12,18,20H,1,9-11,13H2,2H3.
What are the key properties of 3-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methylamino]hex-5-en-3-ol?
3-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methylamino]hex-5-en-3-ol has a molecular weight of 286.38 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methylamino]hex-5-en-3-ol is sourced from PubChem (CID 134232686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).