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

C15H18N2O3S — CID 117491636

IUPAC4-[3-methoxy-2-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine
SMILESCOc1cccc(-c2cnoc2N)c1OC1CCCSC1
InChIInChI=1S/C15H18N2O3S/c1-18-13-6-2-5-11(12-8-17-20-15(12)16)14(13)19-10-4-3-7-21-9-10/h2,5-6,8,10H,3-4,7,9,16H2,1H3
InChIKeyDNXRLIYAHOUPOC-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.21
Rot. Bonds4

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

4-[3-methoxy-2-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine (PubChem CID 117491636) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-[3-methoxy-2-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-[3-methoxy-2-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine
PubChem CID117491636
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name4-[3-methoxy-2-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine
SMILESCOc1cccc(-c2cnoc2N)c1OC1CCCSC1
InChIInChI=1S/C15H18N2O3S/c1-18-13-6-2-5-11(12-8-17-20-15(12)16)14(13)19-10-4-3-7-21-9-10/h2,5-6,8,10H,3-4,7,9,16H2,1H3
InChIKeyDNXRLIYAHOUPOC-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

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

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Related Compounds

4-(3-Methoxyphenyl)isoxazol-5-amine
CID 61393224
N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-1-(4-fluorophenyl)methanesulfonamide
CID 110402720
6-(5-Amino-1,2-oxazol-4-yl)-3-fluoro-2-methoxyphenol
CID 117321291
2-(5-Amino-1,2-oxazol-4-yl)-3-fluoro-6-methoxyphenol
CID 117321293
2-(5-Amino-1,2-oxazol-4-yl)-4-fluoro-6-methoxyphenol
CID 117321294
4-(5-Fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)-1,2-oxazol-5-amine
CID 117344227
4-(5-Fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine
CID 117344228
4-(5-Fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-5-amine
CID 117344229
4-(6-Fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine
CID 117344232
4-(6-Fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-5-amine
CID 117344236
4-(3-Fluoro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117348517
4-(2-Fluoro-3,4-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117348521

Frequently Asked Questions

What is the IUPAC name of 4-[3-methoxy-2-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-[3-methoxy-2-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine (CID 117491636) is 4-[3-methoxy-2-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-[3-methoxy-2-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-[3-methoxy-2-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine is COc1cccc(-c2cnoc2N)c1OC1CCCSC1.
What is the InChIKey of 4-[3-methoxy-2-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine?
The InChIKey is DNXRLIYAHOUPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-18-13-6-2-5-11(12-8-17-20-15(12)16)14(13)19-10-4-3-7-21-9-10/h2,5-6,8,10H,3-4,7,9,16H2,1H3.
What are the key properties of 4-[3-methoxy-2-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine?
4-[3-methoxy-2-(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-2-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117491636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).