3-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanylmethyl]-5-methyl-1,2-oxazole

C12H16N2O2S — CID 71917667

IUPAC3-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanylmethyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CSc2ncc(C(C)(C)C)o2)no1
InChIInChI=1S/C12H16N2O2S/c1-8-5-9(14-16-8)7-17-11-13-6-10(15-11)12(2,3)4/h5-6H,7H2,1-4H3
InChIKeySVUFIRRSSDEQGB-UHFFFAOYSA-N
MW252.34 g/mol
LogP3.56
Rot. Bonds3

About 3-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanylmethyl]-5-methyl-1,2-oxazole

3-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanylmethyl]-5-methyl-1,2-oxazole (PubChem CID 71917667) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanylmethyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanylmethyl]-5-methyl-1,2-oxazole
PubChem CID71917667
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name3-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanylmethyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CSc2ncc(C(C)(C)C)o2)no1
InChIInChI=1S/C12H16N2O2S/c1-8-5-9(14-16-8)7-17-11-13-6-10(15-11)12(2,3)4/h5-6H,7H2,1-4H3
InChIKeySVUFIRRSSDEQGB-UHFFFAOYSA-N
XLogP3.56
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanylmethyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanylmethyl]-5-methyl-1,2-oxazole (CID 71917667) is 3-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanylmethyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanylmethyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanylmethyl]-5-methyl-1,2-oxazole is Cc1cc(CSc2ncc(C(C)(C)C)o2)no1.
What is the InChIKey of 3-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanylmethyl]-5-methyl-1,2-oxazole?
The InChIKey is SVUFIRRSSDEQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-8-5-9(14-16-8)7-17-11-13-6-10(15-11)12(2,3)4/h5-6H,7H2,1-4H3.
What are the key properties of 3-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanylmethyl]-5-methyl-1,2-oxazole?
3-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanylmethyl]-5-methyl-1,2-oxazole has a molecular weight of 252.34 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanylmethyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 71917667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).