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

C13H14N2O3 — CID 117367639

IUPAC3-[3-(oxolan-3-yloxy)phenyl]-1,2-oxazol-5-amine
SMILESNc1cc(-c2cccc(OC3CCOC3)c2)no1
InChIInChI=1S/C13H14N2O3/c14-13-7-12(15-18-13)9-2-1-3-10(6-9)17-11-4-5-16-8-11/h1-3,6-7,11H,4-5,8,14H2
InChIKeyRDAUDRWXZPTCGG-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.09
Rot. Bonds3

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

3-[3-(oxolan-3-yloxy)phenyl]-1,2-oxazol-5-amine (PubChem CID 117367639) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-[3-(oxolan-3-yloxy)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[3-(oxolan-3-yloxy)phenyl]-1,2-oxazol-5-amine
PubChem CID117367639
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name3-[3-(oxolan-3-yloxy)phenyl]-1,2-oxazol-5-amine
SMILESNc1cc(-c2cccc(OC3CCOC3)c2)no1
InChIInChI=1S/C13H14N2O3/c14-13-7-12(15-18-13)9-2-1-3-10(6-9)17-11-4-5-16-8-11/h1-3,6-7,11H,4-5,8,14H2
InChIKeyRDAUDRWXZPTCGG-UHFFFAOYSA-N
XLogP2.09
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.09
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
3-[4-methoxy-3-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117469039
(1R)-1-[3-[(3R)-oxolan-3-yl]oxyphenyl]ethanamine
CID 67021938
1-[[3-(oxolan-3-yloxy)phenyl]methyl]cyclopropan-1-amine
CID 117338698
[3-[3-(oxan-4-yloxy)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117440122
3-[2-(oxetan-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117336017
3-(3-cycloheptylphenyl)-1,2-oxazol-5-amine
CID 117394464
3-[3-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115004698
3-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 3382841
5-bromo-6-(oxolan-3-yloxy)pyridin-3-amine
CID 79535032
7-(oxolan-3-yloxy)phthalazin-1-amine
CID 170159948
2-[3-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]-1H-pyrrole
CID 141369869

Frequently Asked Questions

What is the IUPAC name of 3-[3-(oxolan-3-yloxy)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[3-(oxolan-3-yloxy)phenyl]-1,2-oxazol-5-amine (CID 117367639) is 3-[3-(oxolan-3-yloxy)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[3-(oxolan-3-yloxy)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[3-(oxolan-3-yloxy)phenyl]-1,2-oxazol-5-amine is Nc1cc(-c2cccc(OC3CCOC3)c2)no1.
What is the InChIKey of 3-[3-(oxolan-3-yloxy)phenyl]-1,2-oxazol-5-amine?
The InChIKey is RDAUDRWXZPTCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c14-13-7-12(15-18-13)9-2-1-3-10(6-9)17-11-4-5-16-8-11/h1-3,6-7,11H,4-5,8,14H2.
What are the key properties of 3-[3-(oxolan-3-yloxy)phenyl]-1,2-oxazol-5-amine?
3-[3-(oxolan-3-yloxy)phenyl]-1,2-oxazol-5-amine has a molecular weight of 246.27 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(oxolan-3-yloxy)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117367639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).