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

C13H14N2O3S — CID 117446070

IUPAC3-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2cc(N)on2)cc1OC1CSC1
InChIInChI=1S/C13H14N2O3S/c1-16-11-3-2-8(10-5-13(14)18-15-10)4-12(11)17-9-6-19-7-9/h2-5,9H,6-7,14H2,1H3
InChIKeyDMOCEGZBFOYMNF-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.43
Rot. Bonds4

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

3-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1,2-oxazol-5-amine (PubChem CID 117446070) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 3-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1,2-oxazol-5-amine
PubChem CID117446070
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name3-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2cc(N)on2)cc1OC1CSC1
InChIInChI=1S/C13H14N2O3S/c1-16-11-3-2-8(10-5-13(14)18-15-10)4-12(11)17-9-6-19-7-9/h2-5,9H,6-7,14H2,1H3
InChIKeyDMOCEGZBFOYMNF-UHFFFAOYSA-N
XLogP2.43
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117491631
3-[4-methoxy-3-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117469039
3-(4-methoxy-3-piperidin-3-yloxyphenyl)-1,2-oxazol-5-amine
CID 117467462
4-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1H-pyrazol-5-amine
CID 117444360
3-(3-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117336518
3-(4-methoxy-3-phenylphenyl)-1,2-oxazol-5-amine
CID 117419696
3-(3-chloro-4-cyclopentyloxyphenyl)-1,2-oxazol-5-amine
CID 117447044
5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1,2-oxazol-3-amine
CID 117472099
1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,2-oxazol-5-yl]ethanol
CID 118305351
3-[4-(thietan-3-yl)phenyl]-1,2-oxazol-5-amine
CID 117336607
3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
CID 3696985
4-[4-methoxy-3-(thiolan-3-yloxy)phenyl]-1H-pyrazol-5-amine
CID 117470689

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1,2-oxazol-5-amine (CID 117446070) is 3-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1,2-oxazol-5-amine is COc1ccc(-c2cc(N)on2)cc1OC1CSC1.
What is the InChIKey of 3-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1,2-oxazol-5-amine?
The InChIKey is DMOCEGZBFOYMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-16-11-3-2-8(10-5-13(14)18-15-10)4-12(11)17-9-6-19-7-9/h2-5,9H,6-7,14H2,1H3.
What are the key properties of 3-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1,2-oxazol-5-amine?
3-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1,2-oxazol-5-amine has a molecular weight of 278.33 g/mol, XLogP of 2.43, 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-(thietan-3-yloxy)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117446070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).