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

C15H18N2O3S — CID 117491639

IUPAC4-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine
SMILESCOc1cc(-c2cnoc2N)ccc1OC1CCCSC1
InChIInChI=1S/C15H18N2O3S/c1-18-14-7-10(12-8-17-20-15(12)16)4-5-13(14)19-11-3-2-6-21-9-11/h4-5,7-8,11H,2-3,6,9,16H2,1H3
InChIKeyFNSSOIHMOIVFGC-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.21
Rot. Bonds4

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

4-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine (PubChem CID 117491639) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine
PubChem CID117491639
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name4-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine
SMILESCOc1cc(-c2cnoc2N)ccc1OC1CCCSC1
InChIInChI=1S/C15H18N2O3S/c1-18-14-7-10(12-8-17-20-15(12)16)4-5-13(14)19-11-3-2-6-21-9-11/h4-5,7-8,11H,2-3,6,9,16H2,1H3
InChIKeyFNSSOIHMOIVFGC-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

4-[4-methoxy-3-(thian-4-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117491641
3-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117491631
4-[3-methoxy-2-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117491636
5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1,2-oxazol-3-amine
CID 117472099
5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1H-pyrazol-3-amine
CID 117470678
4-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-5-amine
CID 117488480
4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1,2-oxazol-5-amine
CID 117404879
4-[4-methoxy-3-(thiolan-3-yloxy)phenyl]-1H-pyrazol-5-amine
CID 117470689
(E)-3-[3-methoxy-4-(thian-3-yloxy)phenyl]prop-2-en-1-amine
CID 117448497
2-[3-methoxy-4-(thian-3-yloxy)phenyl]propan-1-amine
CID 117451976
2-[4-methoxy-3-(thian-3-yloxy)phenyl]propan-2-amine
CID 117451953
4-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)-1,2-oxazol-5-amine
CID 117450717

Frequently Asked Questions

What is the IUPAC name of 4-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine (CID 117491639) is 4-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine is COc1cc(-c2cnoc2N)ccc1OC1CCCSC1.
What is the InChIKey of 4-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine?
The InChIKey is FNSSOIHMOIVFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-18-14-7-10(12-8-17-20-15(12)16)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 4-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine?
4-[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 4-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117491639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).