3,5-dimethyl-4-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole

C14H15N3OS — CID 2997529

IUPAC3,5-dimethyl-4-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole
SMILESCc1noc(C)c1CSc1nc2ccccc2n1C
InChIInChI=1S/C14H15N3OS/c1-9-11(10(2)18-16-9)8-19-14-15-12-6-4-5-7-13(12)17(14)3/h4-7H,8H2,1-3H3
InChIKeyKWOOABCIVZITDT-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.47
Rot. Bonds3

About 3,5-dimethyl-4-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole

3,5-dimethyl-4-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole (PubChem CID 2997529) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 3,5-dimethyl-4-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole
PubChem CID2997529
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name3,5-dimethyl-4-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole
SMILESCc1noc(C)c1CSc1nc2ccccc2n1C
InChIInChI=1S/C14H15N3OS/c1-9-11(10(2)18-16-9)8-19-14-15-12-6-4-5-7-13(12)17(14)3/h4-7H,8H2,1-3H3
InChIKeyKWOOABCIVZITDT-UHFFFAOYSA-N
XLogP3.47
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole (CID 2997529) is 3,5-dimethyl-4-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole is Cc1noc(C)c1CSc1nc2ccccc2n1C.
What is the InChIKey of 3,5-dimethyl-4-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole?
The InChIKey is KWOOABCIVZITDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-9-11(10(2)18-16-9)8-19-14-15-12-6-4-5-7-13(12)17(14)3/h4-7H,8H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole?
3,5-dimethyl-4-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole has a molecular weight of 273.36 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole is sourced from PubChem (CID 2997529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).