3-[(1R)-1-ethoxyethyl]-5-[[(R)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,2,4-oxadiazole

C12H16N2O4S — CID 124621517

IUPAC3-[(1R)-1-ethoxyethyl]-5-[[(R)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,2,4-oxadiazole
SMILESCCO[C@H](C)c1noc(C[S@@](=O)c2ccoc2C)n1
InChIInChI=1S/C12H16N2O4S/c1-4-16-9(3)12-13-11(18-14-12)7-19(15)10-5-6-17-8(10)2/h5-6,9H,4,7H2,1-3H3/t9-,19-/m1/s1
InChIKeyFYFWUXKJNCLSGX-AYLIAGHASA-N
MW284.34 g/mol
LogP2.38
Rot. Bonds6

About 3-[(1R)-1-ethoxyethyl]-5-[[(R)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,2,4-oxadiazole

3-[(1R)-1-ethoxyethyl]-5-[[(R)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,2,4-oxadiazole (PubChem CID 124621517) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-[(1R)-1-ethoxyethyl]-5-[[(R)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(1R)-1-ethoxyethyl]-5-[[(R)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,2,4-oxadiazole
PubChem CID124621517
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name3-[(1R)-1-ethoxyethyl]-5-[[(R)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,2,4-oxadiazole
SMILESCCO[C@H](C)c1noc(C[S@@](=O)c2ccoc2C)n1
InChIInChI=1S/C12H16N2O4S/c1-4-16-9(3)12-13-11(18-14-12)7-19(15)10-5-6-17-8(10)2/h5-6,9H,4,7H2,1-3H3/t9-,19-/m1/s1
InChIKeyFYFWUXKJNCLSGX-AYLIAGHASA-N
XLogP2.38
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-ethoxyethyl]-5-[[(R)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(1R)-1-ethoxyethyl]-5-[[(R)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,2,4-oxadiazole (CID 124621517) is 3-[(1R)-1-ethoxyethyl]-5-[[(R)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(1R)-1-ethoxyethyl]-5-[[(R)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(1R)-1-ethoxyethyl]-5-[[(R)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,2,4-oxadiazole is CCO[C@H](C)c1noc(C[S@@](=O)c2ccoc2C)n1.
What is the InChIKey of 3-[(1R)-1-ethoxyethyl]-5-[[(R)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,2,4-oxadiazole?
The InChIKey is FYFWUXKJNCLSGX-AYLIAGHASA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-4-16-9(3)12-13-11(18-14-12)7-19(15)10-5-6-17-8(10)2/h5-6,9H,4,7H2,1-3H3/t9-,19-/m1/s1.
What are the key properties of 3-[(1R)-1-ethoxyethyl]-5-[[(R)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,2,4-oxadiazole?
3-[(1R)-1-ethoxyethyl]-5-[[(R)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,2,4-oxadiazole has a molecular weight of 284.34 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-ethoxyethyl]-5-[[(R)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 124621517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).