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

C12H12N2O3 — CID 117335998

IUPAC5-[2-(oxetan-3-yloxy)phenyl]-1,2-oxazol-3-amine
SMILESNc1cc(-c2ccccc2OC2COC2)on1
InChIInChI=1S/C12H12N2O3/c13-12-5-11(17-14-12)9-3-1-2-4-10(9)16-8-6-15-7-8/h1-5,8H,6-7H2,(H2,13,14)
InChIKeyYRKXJFMMXDMQGD-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.70
Rot. Bonds3

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

5-[2-(oxetan-3-yloxy)phenyl]-1,2-oxazol-3-amine (PubChem CID 117335998) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-[2-(oxetan-3-yloxy)phenyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[2-(oxetan-3-yloxy)phenyl]-1,2-oxazol-3-amine
PubChem CID117335998
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name5-[2-(oxetan-3-yloxy)phenyl]-1,2-oxazol-3-amine
SMILESNc1cc(-c2ccccc2OC2COC2)on1
InChIInChI=1S/C12H12N2O3/c13-12-5-11(17-14-12)9-3-1-2-4-10(9)16-8-6-15-7-8/h1-5,8H,6-7H2,(H2,13,14)
InChIKeyYRKXJFMMXDMQGD-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

5-(2-cyclopropyloxyphenyl)-1,2-oxazol-3-amine
CID 117307996
3-[2-(oxetan-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117336017
5-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazol-3-amine
CID 117442341
3-[2-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117404865
5-(2-iodophenyl)-1,2-oxazol-3-amine
CID 66200615
5-(2-cyclopentylphenyl)-1,2-oxazol-3-amine
CID 117329052
5-(2-propan-2-ylphenyl)-1,2-oxazol-3-amine
CID 117290994
5-(3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
CID 117373531
5-[3-chloro-4-(oxan-3-yloxy)phenyl]-1,2-oxazol-3-amine
CID 117475309
5-[2-(1-methoxycyclopropyl)phenyl]-1,2-oxazol-3-amine
CID 115111671
5-(3-bromo-4-cyclopropyloxyphenyl)-1,2-oxazol-3-amine
CID 117475662
5-[2-(1,1-difluoroethyl)phenyl]-1,2-oxazol-3-amine
CID 117321347

Frequently Asked Questions

What is the IUPAC name of 5-[2-(oxetan-3-yloxy)phenyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[2-(oxetan-3-yloxy)phenyl]-1,2-oxazol-3-amine (CID 117335998) is 5-[2-(oxetan-3-yloxy)phenyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[2-(oxetan-3-yloxy)phenyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[2-(oxetan-3-yloxy)phenyl]-1,2-oxazol-3-amine is Nc1cc(-c2ccccc2OC2COC2)on1.
What is the InChIKey of 5-[2-(oxetan-3-yloxy)phenyl]-1,2-oxazol-3-amine?
The InChIKey is YRKXJFMMXDMQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c13-12-5-11(17-14-12)9-3-1-2-4-10(9)16-8-6-15-7-8/h1-5,8H,6-7H2,(H2,13,14).
What are the key properties of 5-[2-(oxetan-3-yloxy)phenyl]-1,2-oxazol-3-amine?
5-[2-(oxetan-3-yloxy)phenyl]-1,2-oxazol-3-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 5-[2-(oxetan-3-yloxy)phenyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117335998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).