3-[1-(1,2-oxazol-3-ylmethylamino)ethyl]phenol

C12H14N2O2 — CID 81170422

IUPAC3-[1-(1,2-oxazol-3-ylmethylamino)ethyl]phenol
SMILESCC(NCc1ccon1)c1cccc(O)c1
InChIInChI=1S/C12H14N2O2/c1-9(10-3-2-4-12(15)7-10)13-8-11-5-6-16-14-11/h2-7,9,13,15H,8H2,1H3
InChIKeyJOKXFHRJZLUZOQ-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.23
Rot. Bonds4

About 3-[1-(1,2-oxazol-3-ylmethylamino)ethyl]phenol

3-[1-(1,2-oxazol-3-ylmethylamino)ethyl]phenol (PubChem CID 81170422) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-[1-(1,2-oxazol-3-ylmethylamino)ethyl]phenol.

Molecular Properties

Compound Name3-[1-(1,2-oxazol-3-ylmethylamino)ethyl]phenol
PubChem CID81170422
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-[1-(1,2-oxazol-3-ylmethylamino)ethyl]phenol
SMILESCC(NCc1ccon1)c1cccc(O)c1
InChIInChI=1S/C12H14N2O2/c1-9(10-3-2-4-12(15)7-10)13-8-11-5-6-16-14-11/h2-7,9,13,15H,8H2,1H3
InChIKeyJOKXFHRJZLUZOQ-UHFFFAOYSA-N
XLogP2.23
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(1,2-oxazol-3-ylmethylamino)ethyl]phenol
CID 81170192
2-[1-(1,2-oxazol-3-ylmethylamino)ethyl]benzene-1,4-diol
CID 81171172
1-naphthalen-2-yl-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 79501678
1-(3,4-dimethylphenyl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 81171162
3-[1-(ethylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81176656
3-[1-[(3,5-dichlorophenyl)methylamino]ethyl]phenol
CID 60790186
1-(5-chlorothiophen-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 102976657
3-[1-(1,3-benzothiazol-2-ylmethylamino)ethyl]phenol
CID 43204573
3-methyl-N-(1,2-oxazol-3-ylmethyl)butan-2-amine
CID 81171315
3-[1-(1H-imidazol-5-ylmethylamino)ethyl]phenol
CID 62761945
1-(4-nitrophenyl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 79822798
3-[1-(2,2-difluoroethylamino)ethyl]phenol
CID 115405831

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,2-oxazol-3-ylmethylamino)ethyl]phenol?
The IUPAC name of 3-[1-(1,2-oxazol-3-ylmethylamino)ethyl]phenol (CID 81170422) is 3-[1-(1,2-oxazol-3-ylmethylamino)ethyl]phenol.
What is the SMILES notation for 3-[1-(1,2-oxazol-3-ylmethylamino)ethyl]phenol?
The canonical SMILES for 3-[1-(1,2-oxazol-3-ylmethylamino)ethyl]phenol is CC(NCc1ccon1)c1cccc(O)c1.
What is the InChIKey of 3-[1-(1,2-oxazol-3-ylmethylamino)ethyl]phenol?
The InChIKey is JOKXFHRJZLUZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9(10-3-2-4-12(15)7-10)13-8-11-5-6-16-14-11/h2-7,9,13,15H,8H2,1H3.
What are the key properties of 3-[1-(1,2-oxazol-3-ylmethylamino)ethyl]phenol?
3-[1-(1,2-oxazol-3-ylmethylamino)ethyl]phenol has a molecular weight of 218.26 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,2-oxazol-3-ylmethylamino)ethyl]phenol is sourced from PubChem (CID 81170422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).