5-methyl-3-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2-oxazole

C17H19N3OS — CID 134010501

IUPAC5-methyl-3-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2-oxazole
SMILESCc1cc(CSc2nccn2-c2ccccc2C(C)C)no1
InChIInChI=1S/C17H19N3OS/c1-12(2)15-6-4-5-7-16(15)20-9-8-18-17(20)22-11-14-10-13(3)21-19-14/h4-10,12H,11H2,1-3H3
InChIKeyLIMKDABMKAUYDF-UHFFFAOYSA-N
MW313.43 g/mol
LogP4.58
Rot. Bonds5

About 5-methyl-3-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2-oxazole

5-methyl-3-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2-oxazole (PubChem CID 134010501) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 5-methyl-3-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2-oxazole
PubChem CID134010501
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name5-methyl-3-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2-oxazole
SMILESCc1cc(CSc2nccn2-c2ccccc2C(C)C)no1
InChIInChI=1S/C17H19N3OS/c1-12(2)15-6-4-5-7-16(15)20-9-8-18-17(20)22-11-14-10-13(3)21-19-14/h4-10,12H,11H2,1-3H3
InChIKeyLIMKDABMKAUYDF-UHFFFAOYSA-N
XLogP4.58
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2-oxazole (CID 134010501) is 5-methyl-3-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2-oxazole is Cc1cc(CSc2nccn2-c2ccccc2C(C)C)no1.
What is the InChIKey of 5-methyl-3-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2-oxazole?
The InChIKey is LIMKDABMKAUYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-12(2)15-6-4-5-7-16(15)20-9-8-18-17(20)22-11-14-10-13(3)21-19-14/h4-10,12H,11H2,1-3H3.
What are the key properties of 5-methyl-3-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2-oxazole?
5-methyl-3-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2-oxazole has a molecular weight of 313.43 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2-oxazole is sourced from PubChem (CID 134010501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).