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

C12H17N3O4S — CID 47207893

IUPAC5-[1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(C(C)S(=O)(=O)Cc2cc(C)no2)n1
InChIInChI=1S/C12H17N3O4S/c1-4-5-11-13-12(19-15-11)9(3)20(16,17)7-10-6-8(2)14-18-10/h6,9H,4-5,7H2,1-3H3
InChIKeyWWUSPAPNPLMKHS-UHFFFAOYSA-N
MW299.35 g/mol
LogP1.99
Rot. Bonds6

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

5-[1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethyl]-3-propyl-1,2,4-oxadiazole (PubChem CID 47207893) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is 5-[1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethyl]-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethyl]-3-propyl-1,2,4-oxadiazole
PubChem CID47207893
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name5-[1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(C(C)S(=O)(=O)Cc2cc(C)no2)n1
InChIInChI=1S/C12H17N3O4S/c1-4-5-11-13-12(19-15-11)9(3)20(16,17)7-10-6-8(2)14-18-10/h6,9H,4-5,7H2,1-3H3
InChIKeyWWUSPAPNPLMKHS-UHFFFAOYSA-N
XLogP1.99
TPSA99.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethyl]-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethyl]-3-propyl-1,2,4-oxadiazole (CID 47207893) is 5-[1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethyl]-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethyl]-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethyl]-3-propyl-1,2,4-oxadiazole is CCCc1noc(C(C)S(=O)(=O)Cc2cc(C)no2)n1.
What is the InChIKey of 5-[1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethyl]-3-propyl-1,2,4-oxadiazole?
The InChIKey is WWUSPAPNPLMKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-4-5-11-13-12(19-15-11)9(3)20(16,17)7-10-6-8(2)14-18-10/h6,9H,4-5,7H2,1-3H3.
What are the key properties of 5-[1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethyl]-3-propyl-1,2,4-oxadiazole?
5-[1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethyl]-3-propyl-1,2,4-oxadiazole has a molecular weight of 299.35 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethyl]-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 47207893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).