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

C15H18N2O3S — CID 117491641

IUPAC4-[4-methoxy-3-(thian-4-yloxy)phenyl]-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2cnoc2N)cc1OC1CCSCC1
InChIInChI=1S/C15H18N2O3S/c1-18-13-3-2-10(12-9-17-20-15(12)16)8-14(13)19-11-4-6-21-7-5-11/h2-3,8-9,11H,4-7,16H2,1H3
InChIKeyLLZIGBFTJZXMCJ-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.21
Rot. Bonds4

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

4-[4-methoxy-3-(thian-4-yloxy)phenyl]-1,2-oxazol-5-amine (PubChem CID 117491641) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-[4-methoxy-3-(thian-4-yloxy)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-[4-methoxy-3-(thian-4-yloxy)phenyl]-1,2-oxazol-5-amine
PubChem CID117491641
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name4-[4-methoxy-3-(thian-4-yloxy)phenyl]-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2cnoc2N)cc1OC1CCSCC1
InChIInChI=1S/C15H18N2O3S/c1-18-13-3-2-10(12-9-17-20-15(12)16)8-14(13)19-11-4-6-21-7-5-11/h2-3,8-9,11H,4-7,16H2,1H3
InChIKeyLLZIGBFTJZXMCJ-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-(1-methylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-5-amine
CID 117488480
4-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117491639
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
4-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)-1,2-oxazol-5-amine
CID 117450717
4-(2-cyclopropyloxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117332550
5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1,2-oxazol-3-amine
CID 117472099
[4-methoxy-3-(thian-4-yloxy)phenyl]methanamine
CID 115005336
4-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1H-pyrazol-5-amine
CID 117444360
3-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117446070
5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1H-pyrazol-3-amine
CID 117470678
4-[3-methoxy-2-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117491636

Frequently Asked Questions

What is the IUPAC name of 4-[4-methoxy-3-(thian-4-yloxy)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-[4-methoxy-3-(thian-4-yloxy)phenyl]-1,2-oxazol-5-amine (CID 117491641) is 4-[4-methoxy-3-(thian-4-yloxy)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-[4-methoxy-3-(thian-4-yloxy)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-[4-methoxy-3-(thian-4-yloxy)phenyl]-1,2-oxazol-5-amine is COc1ccc(-c2cnoc2N)cc1OC1CCSCC1.
What is the InChIKey of 4-[4-methoxy-3-(thian-4-yloxy)phenyl]-1,2-oxazol-5-amine?
The InChIKey is LLZIGBFTJZXMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-18-13-3-2-10(12-9-17-20-15(12)16)8-14(13)19-11-4-6-21-7-5-11/h2-3,8-9,11H,4-7,16H2,1H3.
What are the key properties of 4-[4-methoxy-3-(thian-4-yloxy)phenyl]-1,2-oxazol-5-amine?
4-[4-methoxy-3-(thian-4-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-[4-methoxy-3-(thian-4-yloxy)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117491641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).