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

C15H18N2O3S — CID 117491631

IUPAC3-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine
SMILESCOc1cc(-c2cc(N)on2)ccc1OC1CCCSC1
InChIInChI=1S/C15H18N2O3S/c1-18-14-7-10(12-8-15(16)20-17-12)4-5-13(14)19-11-3-2-6-21-9-11/h4-5,7-8,11H,2-3,6,9,16H2,1H3
InChIKeyDSXUCKLRYAXXMV-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.21
Rot. Bonds4

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

3-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine (PubChem CID 117491631) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine
PubChem CID117491631
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name3-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine
SMILESCOc1cc(-c2cc(N)on2)ccc1OC1CCCSC1
InChIInChI=1S/C15H18N2O3S/c1-18-14-7-10(12-8-15(16)20-17-12)4-5-13(14)19-11-3-2-6-21-9-11/h4-5,7-8,11H,2-3,6,9,16H2,1H3
InChIKeyDSXUCKLRYAXXMV-UHFFFAOYSA-N
XLogP3.21
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117446070
4-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117491639
5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1,2-oxazol-3-amine
CID 117472099
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
5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1H-pyrazol-3-amine
CID 117470678
3-(3-chloro-4-cyclopentyloxyphenyl)-1,2-oxazol-5-amine
CID 117447044
2-[3-methoxy-4-(thian-3-yloxy)phenyl]propan-1-amine
CID 117451976
(E)-3-[3-methoxy-4-(thian-3-yloxy)phenyl]prop-2-en-1-amine
CID 117448497
O-[[4-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine
CID 117426919
3-(4-methoxy-3-phenylphenyl)-1,2-oxazol-5-amine
CID 117419696
2-[4-methoxy-3-(thian-3-yloxy)phenyl]propan-2-amine
CID 117451953

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine (CID 117491631) is 3-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine is COc1cc(-c2cc(N)on2)ccc1OC1CCCSC1.
What is the InChIKey of 3-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine?
The InChIKey is DSXUCKLRYAXXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-18-14-7-10(12-8-15(16)20-17-12)4-5-13(14)19-11-3-2-6-21-9-11/h4-5,7-8,11H,2-3,6,9,16H2,1H3.
What are the key properties of 3-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine?
3-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine has a molecular weight of 306.39 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117491631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).