2-[1,2-oxazol-5-ylmethyl(prop-2-enyl)amino]ethanol

C9H14N2O2 — CID 115631668

IUPAC2-[1,2-oxazol-5-ylmethyl(prop-2-enyl)amino]ethanol
SMILESC=CCN(CCO)Cc1ccno1
InChIInChI=1S/C9H14N2O2/c1-2-5-11(6-7-12)8-9-3-4-10-13-9/h2-4,12H,1,5-8H2
InChIKeyVWPSCIIJILYEOE-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.65
Rot. Bonds6

About 2-[1,2-oxazol-5-ylmethyl(prop-2-enyl)amino]ethanol

2-[1,2-oxazol-5-ylmethyl(prop-2-enyl)amino]ethanol (PubChem CID 115631668) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-[1,2-oxazol-5-ylmethyl(prop-2-enyl)amino]ethanol.

Molecular Properties

Compound Name2-[1,2-oxazol-5-ylmethyl(prop-2-enyl)amino]ethanol
PubChem CID115631668
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-[1,2-oxazol-5-ylmethyl(prop-2-enyl)amino]ethanol
SMILESC=CCN(CCO)Cc1ccno1
InChIInChI=1S/C9H14N2O2/c1-2-5-11(6-7-12)8-9-3-4-10-13-9/h2-4,12H,1,5-8H2
InChIKeyVWPSCIIJILYEOE-UHFFFAOYSA-N
XLogP0.65
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,6-difluorophenyl)methyl-prop-2-enylamino]ethanol
CID 115883250
2-[1,2-oxazol-5-ylmethyl(pentan-3-yl)amino]ethanol
CID 62016832
2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethanol
CID 115669656
2-[(2-methylphenyl)methyl-prop-2-enylamino]ethanol
CID 111423251
2-[(2,5-dichlorophenyl)methyl-prop-2-enylamino]ethanol
CID 115647773
2-[(5-methoxythiophen-2-yl)methyl-prop-2-enylamino]ethanol
CID 115883253
2-[[4-(difluoromethoxy)phenyl]methyl-prop-2-enylamino]ethanol
CID 111423289
2-[(2-chloro-6-fluorophenyl)methyl-prop-2-enylamino]ethanol
CID 115631698
2-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-6-methylpyridin-3-ol
CID 115883207
2-[(4-propan-2-ylphenyl)methyl-prop-2-enylamino]ethanol
CID 115631692
2-[prop-2-enyl(1,3-thiazol-4-ylmethyl)amino]ethanol
CID 115633439
2-[(5-phenyl-1,3-oxazol-2-yl)methyl-prop-2-enylamino]ethanol
CID 115631921

Frequently Asked Questions

What is the IUPAC name of 2-[1,2-oxazol-5-ylmethyl(prop-2-enyl)amino]ethanol?
The IUPAC name of 2-[1,2-oxazol-5-ylmethyl(prop-2-enyl)amino]ethanol (CID 115631668) is 2-[1,2-oxazol-5-ylmethyl(prop-2-enyl)amino]ethanol.
What is the SMILES notation for 2-[1,2-oxazol-5-ylmethyl(prop-2-enyl)amino]ethanol?
The canonical SMILES for 2-[1,2-oxazol-5-ylmethyl(prop-2-enyl)amino]ethanol is C=CCN(CCO)Cc1ccno1.
What is the InChIKey of 2-[1,2-oxazol-5-ylmethyl(prop-2-enyl)amino]ethanol?
The InChIKey is VWPSCIIJILYEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-5-11(6-7-12)8-9-3-4-10-13-9/h2-4,12H,1,5-8H2.
What are the key properties of 2-[1,2-oxazol-5-ylmethyl(prop-2-enyl)amino]ethanol?
2-[1,2-oxazol-5-ylmethyl(prop-2-enyl)amino]ethanol has a molecular weight of 182.22 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2-oxazol-5-ylmethyl(prop-2-enyl)amino]ethanol is sourced from PubChem (CID 115631668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).