4-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole

C17H19N3OS — CID 31405143

IUPAC4-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CSc1nc(Cc2ccccc2)c(C)[nH]1
InChIInChI=1S/C17H19N3OS/c1-11-15(13(3)21-20-11)10-22-17-18-12(2)16(19-17)9-14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,18,19)
InChIKeyOMZSWPFRPSXYEM-UHFFFAOYSA-N
MW313.43 g/mol
LogP4.21
Rot. Bonds5

About 4-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole

4-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 31405143) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 4-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
PubChem CID31405143
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name4-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CSc1nc(Cc2ccccc2)c(C)[nH]1
InChIInChI=1S/C17H19N3OS/c1-11-15(13(3)21-20-11)10-22-17-18-12(2)16(19-17)9-14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,18,19)
InChIKeyOMZSWPFRPSXYEM-UHFFFAOYSA-N
XLogP4.21
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole (CID 31405143) is 4-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1CSc1nc(Cc2ccccc2)c(C)[nH]1.
What is the InChIKey of 4-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is OMZSWPFRPSXYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-11-15(13(3)21-20-11)10-22-17-18-12(2)16(19-17)9-14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,18,19).
What are the key properties of 4-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole?
4-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 313.43 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 31405143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).