2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-prop-2-enylamino]ethanol

C15H19N3O3 — CID 111423257

IUPAC2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)Cc1nc(-c2cccc(OC)c2)no1
InChIInChI=1S/C15H19N3O3/c1-3-7-18(8-9-19)11-14-16-15(17-21-14)12-5-4-6-13(10-12)20-2/h3-6,10,19H,1,7-9,11H2,2H3
InChIKeyDPUFLAPYMKSMGV-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.73
Rot. Bonds8

About 2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-prop-2-enylamino]ethanol

2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-prop-2-enylamino]ethanol (PubChem CID 111423257) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-prop-2-enylamino]ethanol
PubChem CID111423257
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)Cc1nc(-c2cccc(OC)c2)no1
InChIInChI=1S/C15H19N3O3/c1-3-7-18(8-9-19)11-14-16-15(17-21-14)12-5-4-6-13(10-12)20-2/h3-6,10,19H,1,7-9,11H2,2H3
InChIKeyDPUFLAPYMKSMGV-UHFFFAOYSA-N
XLogP1.73
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl-prop-2-enylamino]ethanol
CID 111423085
2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl-prop-2-enylamino]ethanol
CID 115631725
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanesulfonamide
CID 53278196
3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole
CID 143434606
2-[2-methoxyethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 111103170
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl-prop-2-enylamino]ethanol
CID 111423799
2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-propan-2-ylamino]acetamide
CID 86909866
3-chloro-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide
CID 50874619
3-(3-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 2989886
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-(4-methylphenyl)sulfanylacetamide
CID 99999152
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 100634154
2-(4-chlorophenyl)sulfanyl-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide
CID 50874883

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-prop-2-enylamino]ethanol?
The IUPAC name of 2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-prop-2-enylamino]ethanol (CID 111423257) is 2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-prop-2-enylamino]ethanol is C=CCN(CCO)Cc1nc(-c2cccc(OC)c2)no1.
What is the InChIKey of 2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-prop-2-enylamino]ethanol?
The InChIKey is DPUFLAPYMKSMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-7-18(8-9-19)11-14-16-15(17-21-14)12-5-4-6-13(10-12)20-2/h3-6,10,19H,1,7-9,11H2,2H3.
What are the key properties of 2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-prop-2-enylamino]ethanol?
2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-prop-2-enylamino]ethanol has a molecular weight of 289.34 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-prop-2-enylamino]ethanol is sourced from PubChem (CID 111423257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).