2-ethyl-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole

C17H20N4OS — CID 134010479

IUPAC2-ethyl-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
SMILESCCc1nnc(CSc2nccn2-c2ccccc2C(C)C)o1
InChIInChI=1S/C17H20N4OS/c1-4-15-19-20-16(22-15)11-23-17-18-9-10-21(17)14-8-6-5-7-13(14)12(2)3/h5-10,12H,4,11H2,1-3H3
InChIKeyYKGGNXRXPVSSMV-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.23
Rot. Bonds6

About 2-ethyl-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole

2-ethyl-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 134010479) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-ethyl-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID134010479
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name2-ethyl-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
SMILESCCc1nnc(CSc2nccn2-c2ccccc2C(C)C)o1
InChIInChI=1S/C17H20N4OS/c1-4-15-19-20-16(22-15)11-23-17-18-9-10-21(17)14-8-6-5-7-13(14)12(2)3/h5-10,12H,4,11H2,1-3H3
InChIKeyYKGGNXRXPVSSMV-UHFFFAOYSA-N
XLogP4.23
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole (CID 134010479) is 2-ethyl-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole is CCc1nnc(CSc2nccn2-c2ccccc2C(C)C)o1.
What is the InChIKey of 2-ethyl-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is YKGGNXRXPVSSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-4-15-19-20-16(22-15)11-23-17-18-9-10-21(17)14-8-6-5-7-13(14)12(2)3/h5-10,12H,4,11H2,1-3H3.
What are the key properties of 2-ethyl-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole?
2-ethyl-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 328.44 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 134010479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).