5-methyl-3-(1,3-oxazol-4-ylmethyl)thieno[2,3-d][1,2]oxazol-6-amine

C10H9N3O2S — CID 82389473

IUPAC5-methyl-3-(1,3-oxazol-4-ylmethyl)thieno[2,3-d][1,2]oxazol-6-amine
SMILESCc1sc2c(Cc3cocn3)noc2c1N
InChIInChI=1S/C10H9N3O2S/c1-5-8(11)9-10(16-5)7(13-15-9)2-6-3-14-4-12-6/h3-4H,2,11H2,1H3
InChIKeyWXHZLBWXMBMCGC-UHFFFAOYSA-N
MW235.27 g/mol
LogP2.36
Rot. Bonds2

About 5-methyl-3-(1,3-oxazol-4-ylmethyl)thieno[2,3-d][1,2]oxazol-6-amine

5-methyl-3-(1,3-oxazol-4-ylmethyl)thieno[2,3-d][1,2]oxazol-6-amine (PubChem CID 82389473) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 5-methyl-3-(1,3-oxazol-4-ylmethyl)thieno[2,3-d][1,2]oxazol-6-amine.

Molecular Properties

Compound Name5-methyl-3-(1,3-oxazol-4-ylmethyl)thieno[2,3-d][1,2]oxazol-6-amine
PubChem CID82389473
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name5-methyl-3-(1,3-oxazol-4-ylmethyl)thieno[2,3-d][1,2]oxazol-6-amine
SMILESCc1sc2c(Cc3cocn3)noc2c1N
InChIInChI=1S/C10H9N3O2S/c1-5-8(11)9-10(16-5)7(13-15-9)2-6-3-14-4-12-6/h3-4H,2,11H2,1H3
InChIKeyWXHZLBWXMBMCGC-UHFFFAOYSA-N
XLogP2.36
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(1,3-oxazol-4-ylmethyl)thieno[2,3-d][1,2]oxazol-6-amine?
The IUPAC name of 5-methyl-3-(1,3-oxazol-4-ylmethyl)thieno[2,3-d][1,2]oxazol-6-amine (CID 82389473) is 5-methyl-3-(1,3-oxazol-4-ylmethyl)thieno[2,3-d][1,2]oxazol-6-amine.
What is the SMILES notation for 5-methyl-3-(1,3-oxazol-4-ylmethyl)thieno[2,3-d][1,2]oxazol-6-amine?
The canonical SMILES for 5-methyl-3-(1,3-oxazol-4-ylmethyl)thieno[2,3-d][1,2]oxazol-6-amine is Cc1sc2c(Cc3cocn3)noc2c1N.
What is the InChIKey of 5-methyl-3-(1,3-oxazol-4-ylmethyl)thieno[2,3-d][1,2]oxazol-6-amine?
The InChIKey is WXHZLBWXMBMCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c1-5-8(11)9-10(16-5)7(13-15-9)2-6-3-14-4-12-6/h3-4H,2,11H2,1H3.
What are the key properties of 5-methyl-3-(1,3-oxazol-4-ylmethyl)thieno[2,3-d][1,2]oxazol-6-amine?
5-methyl-3-(1,3-oxazol-4-ylmethyl)thieno[2,3-d][1,2]oxazol-6-amine has a molecular weight of 235.27 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(1,3-oxazol-4-ylmethyl)thieno[2,3-d][1,2]oxazol-6-amine is sourced from PubChem (CID 82389473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).