3-[2-(oxetan-3-yloxy)phenyl]-1,2-oxazol-5-amine

C12H12N2O3 — CID 117336017

IUPAC3-[2-(oxetan-3-yloxy)phenyl]-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccccc2OC2COC2)no1
InChIInChI=1S/C12H12N2O3/c13-12-5-10(14-17-12)9-3-1-2-4-11(9)16-8-6-15-7-8/h1-5,8H,6-7,13H2
InChIKeyXLPUZFILAHWUCL-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.70
Rot. Bonds3

About 3-[2-(oxetan-3-yloxy)phenyl]-1,2-oxazol-5-amine

3-[2-(oxetan-3-yloxy)phenyl]-1,2-oxazol-5-amine (PubChem CID 117336017) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-[2-(oxetan-3-yloxy)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[2-(oxetan-3-yloxy)phenyl]-1,2-oxazol-5-amine
PubChem CID117336017
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name3-[2-(oxetan-3-yloxy)phenyl]-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccccc2OC2COC2)no1
InChIInChI=1S/C12H12N2O3/c13-12-5-10(14-17-12)9-3-1-2-4-11(9)16-8-6-15-7-8/h1-5,8H,6-7,13H2
InChIKeyXLPUZFILAHWUCL-UHFFFAOYSA-N
XLogP1.70
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117404865
5-[2-(oxetan-3-yloxy)phenyl]-1,2-oxazol-3-amine
CID 117335998
3-[2-(difluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 117299819
5-(2-cyclopropyloxyphenyl)-1,2-oxazol-3-amine
CID 117307996
3-[4-methoxy-3-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117469039
3-[3-(oxolan-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117367639
3-[2-(2-fluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine
CID 117314022
3-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117336512
1-[2-(5-amino-1,2-oxazol-3-yl)phenyl]cyclopropan-1-ol
CID 115112305
3-(2-piperidin-1-ylphenyl)-1,2-oxazol-5-amine
CID 117360434
5-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazol-3-amine
CID 117442341
3-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-amine
CID 3332846

Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxetan-3-yloxy)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[2-(oxetan-3-yloxy)phenyl]-1,2-oxazol-5-amine (CID 117336017) is 3-[2-(oxetan-3-yloxy)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[2-(oxetan-3-yloxy)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[2-(oxetan-3-yloxy)phenyl]-1,2-oxazol-5-amine is Nc1cc(-c2ccccc2OC2COC2)no1.
What is the InChIKey of 3-[2-(oxetan-3-yloxy)phenyl]-1,2-oxazol-5-amine?
The InChIKey is XLPUZFILAHWUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c13-12-5-10(14-17-12)9-3-1-2-4-11(9)16-8-6-15-7-8/h1-5,8H,6-7,13H2.
What are the key properties of 3-[2-(oxetan-3-yloxy)phenyl]-1,2-oxazol-5-amine?
3-[2-(oxetan-3-yloxy)phenyl]-1,2-oxazol-5-amine has a molecular weight of 232.24 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxetan-3-yloxy)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117336017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).