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

C15H19N3O3 — CID 111423799

IUPAC2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)Cc1nnc(-c2ccc(OC)cc2)o1
InChIInChI=1S/C15H19N3O3/c1-3-8-18(9-10-19)11-14-16-17-15(21-14)12-4-6-13(20-2)7-5-12/h3-7,19H,1,8-11H2,2H3
InChIKeySOJFKZNXIQDLHE-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.73
Rot. Bonds8

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

2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl-prop-2-enylamino]ethanol (PubChem CID 111423799) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl-prop-2-enylamino]ethanol
PubChem CID111423799
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)Cc1nnc(-c2ccc(OC)cc2)o1
InChIInChI=1S/C15H19N3O3/c1-3-8-18(9-10-19)11-14-16-17-15(21-14)12-4-6-13(20-2)7-5-12/h3-7,19H,1,8-11H2,2H3
InChIKeySOJFKZNXIQDLHE-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

[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanol
CID 3041371
2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-prop-2-enylamino]ethanol
CID 111423257
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]ethanol
CID 115631711
2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]ethanol
CID 115631911
2-(methoxymethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 67274190
2-[(2-chloro-4-methoxyphenyl)methyl-prop-2-enylamino]ethanol
CID 111824360
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2,2-difluoroethyl)amino]ethanol
CID 107485432
2-[butyl-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol
CID 60689039
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-(4-methylphenoxy)ethanamine
CID 34722034
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-[(2S)-oxolan-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 51952589
2-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 43513285
2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 55044345

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl-prop-2-enylamino]ethanol?
The IUPAC name of 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl-prop-2-enylamino]ethanol (CID 111423799) is 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl-prop-2-enylamino]ethanol is C=CCN(CCO)Cc1nnc(-c2ccc(OC)cc2)o1.
What is the InChIKey of 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl-prop-2-enylamino]ethanol?
The InChIKey is SOJFKZNXIQDLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-8-18(9-10-19)11-14-16-17-15(21-14)12-4-6-13(20-2)7-5-12/h3-7,19H,1,8-11H2,2H3.
What are the key properties of 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl-prop-2-enylamino]ethanol?
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-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-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl-prop-2-enylamino]ethanol is sourced from PubChem (CID 111423799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).