3-methyl-5-[(1R)-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole

C10H13N3O2S — CID 95579086

IUPAC3-methyl-5-[(1R)-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole
SMILESCc1noc([C@@H](C)SCc2cc(C)on2)n1
InChIInChI=1S/C10H13N3O2S/c1-6-4-9(13-14-6)5-16-7(2)10-11-8(3)12-15-10/h4,7H,5H2,1-3H3/t7-/m1/s1
InChIKeyHZNACRXNSDJWME-SSDOTTSWSA-N
MW239.30 g/mol
LogP2.67
Rot. Bonds4

About 3-methyl-5-[(1R)-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole

3-methyl-5-[(1R)-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole (PubChem CID 95579086) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 3-methyl-5-[(1R)-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[(1R)-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole
PubChem CID95579086
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name3-methyl-5-[(1R)-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole
SMILESCc1noc([C@@H](C)SCc2cc(C)on2)n1
InChIInChI=1S/C10H13N3O2S/c1-6-4-9(13-14-6)5-16-7(2)10-11-8(3)12-15-10/h4,7H,5H2,1-3H3/t7-/m1/s1
InChIKeyHZNACRXNSDJWME-SSDOTTSWSA-N
XLogP2.67
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(1R)-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[(1R)-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole (CID 95579086) is 3-methyl-5-[(1R)-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[(1R)-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[(1R)-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole is Cc1noc([C@@H](C)SCc2cc(C)on2)n1.
What is the InChIKey of 3-methyl-5-[(1R)-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole?
The InChIKey is HZNACRXNSDJWME-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-6-4-9(13-14-6)5-16-7(2)10-11-8(3)12-15-10/h4,7H,5H2,1-3H3/t7-/m1/s1.
What are the key properties of 3-methyl-5-[(1R)-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole?
3-methyl-5-[(1R)-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole has a molecular weight of 239.30 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(1R)-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 95579086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).