5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-3-(methoxymethyl)-1,2,4-oxadiazole

C11H15N3O3S — CID 75520339

IUPAC5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1noc(C(C)Sc2nc(C)c(C)o2)n1
InChIInChI=1S/C11H15N3O3S/c1-6-7(2)16-11(12-6)18-8(3)10-13-9(5-15-4)14-17-10/h8H,5H2,1-4H3
InChIKeyPNYMJMRZIIGPND-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.67
Rot. Bonds5

About 5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-3-(methoxymethyl)-1,2,4-oxadiazole

5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-3-(methoxymethyl)-1,2,4-oxadiazole (PubChem CID 75520339) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-3-(methoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-3-(methoxymethyl)-1,2,4-oxadiazole
PubChem CID75520339
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1noc(C(C)Sc2nc(C)c(C)o2)n1
InChIInChI=1S/C11H15N3O3S/c1-6-7(2)16-11(12-6)18-8(3)10-13-9(5-15-4)14-17-10/h8H,5H2,1-4H3
InChIKeyPNYMJMRZIIGPND-UHFFFAOYSA-N
XLogP2.67
TPSA74.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-3-(methoxymethyl)-1,2,4-oxadiazole (CID 75520339) is 5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-3-(methoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-3-(methoxymethyl)-1,2,4-oxadiazole is COCc1noc(C(C)Sc2nc(C)c(C)o2)n1.
What is the InChIKey of 5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The InChIKey is PNYMJMRZIIGPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-6-7(2)16-11(12-6)18-8(3)10-13-9(5-15-4)14-17-10/h8H,5H2,1-4H3.
What are the key properties of 5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-3-(methoxymethyl)-1,2,4-oxadiazole?
5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-3-(methoxymethyl)-1,2,4-oxadiazole has a molecular weight of 269.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-3-(methoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 75520339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).