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

C15H18N2O4 — CID 117469039

IUPAC3-[4-methoxy-3-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2cc(N)on2)cc1OC1CCCOC1
InChIInChI=1S/C15H18N2O4/c1-18-13-5-4-10(12-8-15(16)21-17-12)7-14(13)20-11-3-2-6-19-9-11/h4-5,7-8,11H,2-3,6,9,16H2,1H3
InChIKeyCYUZYTOMLFGXMH-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.49
Rot. Bonds4

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

3-[4-methoxy-3-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine (PubChem CID 117469039) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[4-methoxy-3-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[4-methoxy-3-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine
PubChem CID117469039
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name3-[4-methoxy-3-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2cc(N)on2)cc1OC1CCCOC1
InChIInChI=1S/C15H18N2O4/c1-18-13-5-4-10(12-8-15(16)21-17-12)7-14(13)20-11-3-2-6-19-9-11/h4-5,7-8,11H,2-3,6,9,16H2,1H3
InChIKeyCYUZYTOMLFGXMH-UHFFFAOYSA-N
XLogP2.49
TPSA79.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methoxy-3-piperidin-3-yloxyphenyl)-1,2-oxazol-5-amine
CID 117467462
3-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117446070
3-[2-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117404865
3-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117491631
3-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117490575
3-(3-chloro-4-cyclopentyloxyphenyl)-1,2-oxazol-5-amine
CID 117447044
1-[4-methoxy-3-(oxan-3-yloxy)phenyl]cyclobutan-1-amine
CID 117444451
1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,2-oxazol-5-yl]ethanol
CID 118305351
3-[3-(oxolan-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117367639
2-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine
CID 117417571
1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclopentan-1-amine
CID 117470745
N-[[4-methoxy-3-(oxan-3-yloxy)phenyl]methyl]hydroxylamine
CID 115005268

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-3-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[4-methoxy-3-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine (CID 117469039) is 3-[4-methoxy-3-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[4-methoxy-3-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[4-methoxy-3-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine is COc1ccc(-c2cc(N)on2)cc1OC1CCCOC1.
What is the InChIKey of 3-[4-methoxy-3-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine?
The InChIKey is CYUZYTOMLFGXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-18-13-5-4-10(12-8-15(16)21-17-12)7-14(13)20-11-3-2-6-19-9-11/h4-5,7-8,11H,2-3,6,9,16H2,1H3.
What are the key properties of 3-[4-methoxy-3-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine?
3-[4-methoxy-3-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine has a molecular weight of 290.32 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-3-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117469039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).