3-methyl-5-[[2-(1,3-oxazol-5-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole

C12H11N3O2S — CID 156554927

IUPAC3-methyl-5-[[2-(1,3-oxazol-5-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole
SMILESCc1cc(Cc2csc(Cc3cnco3)n2)on1
InChIInChI=1S/C12H11N3O2S/c1-8-2-10(17-15-8)3-9-6-18-12(14-9)4-11-5-13-7-16-11/h2,5-7H,3-4H2,1H3
InChIKeyKFJINHAKGBTJPR-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.61
Rot. Bonds4

About 3-methyl-5-[[2-(1,3-oxazol-5-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole

3-methyl-5-[[2-(1,3-oxazol-5-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole (PubChem CID 156554927) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is 3-methyl-5-[[2-(1,3-oxazol-5-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[[2-(1,3-oxazol-5-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole
PubChem CID156554927
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name3-methyl-5-[[2-(1,3-oxazol-5-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole
SMILESCc1cc(Cc2csc(Cc3cnco3)n2)on1
InChIInChI=1S/C12H11N3O2S/c1-8-2-10(17-15-8)3-9-6-18-12(14-9)4-11-5-13-7-16-11/h2,5-7H,3-4H2,1H3
InChIKeyKFJINHAKGBTJPR-UHFFFAOYSA-N
XLogP2.61
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[2-(1,3-oxazol-5-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[[2-(1,3-oxazol-5-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole (CID 156554927) is 3-methyl-5-[[2-(1,3-oxazol-5-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[[2-(1,3-oxazol-5-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[[2-(1,3-oxazol-5-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole is Cc1cc(Cc2csc(Cc3cnco3)n2)on1.
What is the InChIKey of 3-methyl-5-[[2-(1,3-oxazol-5-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole?
The InChIKey is KFJINHAKGBTJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c1-8-2-10(17-15-8)3-9-6-18-12(14-9)4-11-5-13-7-16-11/h2,5-7H,3-4H2,1H3.
What are the key properties of 3-methyl-5-[[2-(1,3-oxazol-5-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole?
3-methyl-5-[[2-(1,3-oxazol-5-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole has a molecular weight of 261.31 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[2-(1,3-oxazol-5-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 156554927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).