5-[4-(oxan-4-yloxy)phenyl]-1,2-oxazol-3-amine

C14H16N2O3 — CID 117404768

IUPAC5-[4-(oxan-4-yloxy)phenyl]-1,2-oxazol-3-amine
SMILESNc1cc(-c2ccc(OC3CCOCC3)cc2)on1
InChIInChI=1S/C14H16N2O3/c15-14-9-13(19-16-14)10-1-3-11(4-2-10)18-12-5-7-17-8-6-12/h1-4,9,12H,5-8H2,(H2,15,16)
InChIKeyFYSHBOMJEGAVFX-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.48
Rot. Bonds3

About 5-[4-(oxan-4-yloxy)phenyl]-1,2-oxazol-3-amine

5-[4-(oxan-4-yloxy)phenyl]-1,2-oxazol-3-amine (PubChem CID 117404768) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-[4-(oxan-4-yloxy)phenyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[4-(oxan-4-yloxy)phenyl]-1,2-oxazol-3-amine
PubChem CID117404768
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-[4-(oxan-4-yloxy)phenyl]-1,2-oxazol-3-amine
SMILESNc1cc(-c2ccc(OC3CCOCC3)cc2)on1
InChIInChI=1S/C14H16N2O3/c15-14-9-13(19-16-14)10-1-3-11(4-2-10)18-12-5-7-17-8-6-12/h1-4,9,12H,5-8H2,(H2,15,16)
InChIKeyFYSHBOMJEGAVFX-UHFFFAOYSA-N
XLogP2.48
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[4-(oxan-4-yloxy)phenyl]-1,2-oxazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(1,1-dioxothietan-3-yl)oxyphenyl]-1,2-oxazol-3-amine
CID 117449852
[5-(4-cyclopentyloxyphenyl)-1,2-oxazol-3-yl]methanamine
CID 82483490
5-(3-bromo-4-cyclopropyloxyphenyl)-1,2-oxazol-3-amine
CID 117475662
5-[3-chloro-4-(oxan-4-yl)phenyl]-1,2-oxazol-3-amine
CID 117447033
5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
CID 82472063
5-(4-ethoxyphenyl)-1,2-oxazol-3-amine
CID 27242742
[4-(3-amino-1,2-oxazol-5-yl)phenyl] carbamate
CID 175331108
5-[3-chloro-4-(oxan-3-yloxy)phenyl]-1,2-oxazol-3-amine
CID 117475309
5-(2-cyclopropyloxyphenyl)-1,2-oxazol-3-amine
CID 117307996
4-phenoxyoxane
CID 58483739
5-[4-(1,1-dioxothietan-3-yl)oxyphenyl]-1,2-oxazole-3-carboxylic acid
CID 117494066
4-(4-cyclopropyloxyphenyl)aniline
CID 114519885

Frequently Asked Questions

What is the IUPAC name of 5-[4-(oxan-4-yloxy)phenyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[4-(oxan-4-yloxy)phenyl]-1,2-oxazol-3-amine (CID 117404768) is 5-[4-(oxan-4-yloxy)phenyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[4-(oxan-4-yloxy)phenyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[4-(oxan-4-yloxy)phenyl]-1,2-oxazol-3-amine is Nc1cc(-c2ccc(OC3CCOCC3)cc2)on1.
What is the InChIKey of 5-[4-(oxan-4-yloxy)phenyl]-1,2-oxazol-3-amine?
The InChIKey is FYSHBOMJEGAVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c15-14-9-13(19-16-14)10-1-3-11(4-2-10)18-12-5-7-17-8-6-12/h1-4,9,12H,5-8H2,(H2,15,16).
What are the key properties of 5-[4-(oxan-4-yloxy)phenyl]-1,2-oxazol-3-amine?
5-[4-(oxan-4-yloxy)phenyl]-1,2-oxazol-3-amine has a molecular weight of 260.29 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(oxan-4-yloxy)phenyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117404768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).