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

C14H20N2O2S — CID 71922729

IUPAC3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfanylmethyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CSC(C)c2ncc(C(C)(C)C)o2)no1
InChIInChI=1S/C14H20N2O2S/c1-9-6-11(16-18-9)8-19-10(2)13-15-7-12(17-13)14(3,4)5/h6-7,10H,8H2,1-5H3
InChIKeyRPNZLTXRTARMQD-UHFFFAOYSA-N
MW280.39 g/mol
LogP4.26
Rot. Bonds4

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

3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfanylmethyl]-5-methyl-1,2-oxazole (PubChem CID 71922729) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfanylmethyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfanylmethyl]-5-methyl-1,2-oxazole
PubChem CID71922729
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfanylmethyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CSC(C)c2ncc(C(C)(C)C)o2)no1
InChIInChI=1S/C14H20N2O2S/c1-9-6-11(16-18-9)8-19-10(2)13-15-7-12(17-13)14(3,4)5/h6-7,10H,8H2,1-5H3
InChIKeyRPNZLTXRTARMQD-UHFFFAOYSA-N
XLogP4.26
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfanylmethyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfanylmethyl]-5-methyl-1,2-oxazole (CID 71922729) is 3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfanylmethyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfanylmethyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfanylmethyl]-5-methyl-1,2-oxazole is Cc1cc(CSC(C)c2ncc(C(C)(C)C)o2)no1.
What is the InChIKey of 3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfanylmethyl]-5-methyl-1,2-oxazole?
The InChIKey is RPNZLTXRTARMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-9-6-11(16-18-9)8-19-10(2)13-15-7-12(17-13)14(3,4)5/h6-7,10H,8H2,1-5H3.
What are the key properties of 3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfanylmethyl]-5-methyl-1,2-oxazole?
3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfanylmethyl]-5-methyl-1,2-oxazole has a molecular weight of 280.39 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfanylmethyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 71922729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).