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

C14H16N2O3 — CID 117404865

IUPAC3-[2-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccccc2OC2CCCOC2)no1
InChIInChI=1S/C14H16N2O3/c15-14-8-12(16-19-14)11-5-1-2-6-13(11)18-10-4-3-7-17-9-10/h1-2,5-6,8,10H,3-4,7,9,15H2
InChIKeyBXGRDYYVWMNDDW-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.48
Rot. Bonds3

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

3-[2-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine (PubChem CID 117404865) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-[2-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[2-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine
PubChem CID117404865
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-[2-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccccc2OC2CCCOC2)no1
InChIInChI=1S/C14H16N2O3/c15-14-8-12(16-19-14)11-5-1-2-6-13(11)18-10-4-3-7-17-9-10/h1-2,5-6,8,10H,3-4,7,9,15H2
InChIKeyBXGRDYYVWMNDDW-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

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Related Compounds

3-[2-(oxetan-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117336017
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
2-amino-3-(oxan-3-yloxy)phenol
CID 107134115
5-[2-(oxetan-3-yloxy)phenyl]-1,2-oxazol-3-amine
CID 117335998
3-naphthalen-1-yloxyoxane
CID 107137916
5-[3-chloro-4-(oxan-3-yloxy)phenyl]-1,2-oxazol-3-amine
CID 117475309
3-[2-(chloromethyl)phenoxy]oxane
CID 107135119
5-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazol-3-amine
CID 117442341
3-chloro-4-(oxan-3-yloxy)aniline
CID 107134076
5-chloro-2-(oxan-3-yloxy)aniline
CID 107134074
5-(2-cyclopropyloxyphenyl)-1,2-oxazol-3-amine
CID 117307996

Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[2-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine (CID 117404865) is 3-[2-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[2-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[2-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine is Nc1cc(-c2ccccc2OC2CCCOC2)no1.
What is the InChIKey of 3-[2-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine?
The InChIKey is BXGRDYYVWMNDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c15-14-8-12(16-19-14)11-5-1-2-6-13(11)18-10-4-3-7-17-9-10/h1-2,5-6,8,10H,3-4,7,9,15H2.
What are the key properties of 3-[2-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine?
3-[2-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-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 3-[2-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117404865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).