2-[[(S)-(1-benzylimidazol-2-yl)methylsulfinyl]methyl]-4,5-dimethyl-1,3-oxazole

C17H19N3O2S — CID 99782674

IUPAC2-[[(S)-(1-benzylimidazol-2-yl)methylsulfinyl]methyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(C[S@@](=O)Cc2nccn2Cc2ccccc2)oc1C
InChIInChI=1S/C17H19N3O2S/c1-13-14(2)22-17(19-13)12-23(21)11-16-18-8-9-20(16)10-15-6-4-3-5-7-15/h3-9H,10-12H2,1-2H3/t23-/m0/s1
InChIKeyHSKJQPQTOQZBFA-QHCPKHFHSA-N
MW329.43 g/mol
LogP2.99
Rot. Bonds6

About 2-[[(S)-(1-benzylimidazol-2-yl)methylsulfinyl]methyl]-4,5-dimethyl-1,3-oxazole

2-[[(S)-(1-benzylimidazol-2-yl)methylsulfinyl]methyl]-4,5-dimethyl-1,3-oxazole (PubChem CID 99782674) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-[[(S)-(1-benzylimidazol-2-yl)methylsulfinyl]methyl]-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[(S)-(1-benzylimidazol-2-yl)methylsulfinyl]methyl]-4,5-dimethyl-1,3-oxazole
PubChem CID99782674
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name2-[[(S)-(1-benzylimidazol-2-yl)methylsulfinyl]methyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(C[S@@](=O)Cc2nccn2Cc2ccccc2)oc1C
InChIInChI=1S/C17H19N3O2S/c1-13-14(2)22-17(19-13)12-23(21)11-16-18-8-9-20(16)10-15-6-4-3-5-7-15/h3-9H,10-12H2,1-2H3/t23-/m0/s1
InChIKeyHSKJQPQTOQZBFA-QHCPKHFHSA-N
XLogP2.99
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-2-methylimidazole
CID 158634472
2-[(2-ethylimidazol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole
CID 63811626
2-[(4-chlorophenyl)methylsulfinylmethyl]-4,5-dimethyl-1,3-oxazole
CID 75502277
4,5-dimethyl-2-[(5-phenyl-1,3-thiazol-2-yl)methylsulfinylmethyl]-1,3-oxazole
CID 75502302
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-2-[[1-(2-phenylethyl)imidazol-2-yl]methyl]guanidine
CID 109429787
(1-benzylimidazol-2-yl)methanamine;dihydrochloride
CID 13478012
2-[[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]methyl]-4,5-dimethyl-1,3-oxazole
CID 99782673
3-(1-benzylimidazol-2-yl)propanal
CID 18349572
[2-(1-benzylimidazol-2-yl)-1-phosphonoethyl]phosphonic acid
CID 23043549
2-(1-benzylimidazol-2-yl)acetonitrile;ethane
CID 144979693
4,5-dimethyl-2-[(5-methyl-1,3-thiazol-2-yl)methylsulfinylmethyl]-1,3-oxazole
CID 75502305
3-(1-benzylimidazol-2-yl)-2-methylpropanoic acid
CID 84704499

Frequently Asked Questions

What is the IUPAC name of 2-[[(S)-(1-benzylimidazol-2-yl)methylsulfinyl]methyl]-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-[[(S)-(1-benzylimidazol-2-yl)methylsulfinyl]methyl]-4,5-dimethyl-1,3-oxazole (CID 99782674) is 2-[[(S)-(1-benzylimidazol-2-yl)methylsulfinyl]methyl]-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-[[(S)-(1-benzylimidazol-2-yl)methylsulfinyl]methyl]-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-[[(S)-(1-benzylimidazol-2-yl)methylsulfinyl]methyl]-4,5-dimethyl-1,3-oxazole is Cc1nc(C[S@@](=O)Cc2nccn2Cc2ccccc2)oc1C.
What is the InChIKey of 2-[[(S)-(1-benzylimidazol-2-yl)methylsulfinyl]methyl]-4,5-dimethyl-1,3-oxazole?
The InChIKey is HSKJQPQTOQZBFA-QHCPKHFHSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-13-14(2)22-17(19-13)12-23(21)11-16-18-8-9-20(16)10-15-6-4-3-5-7-15/h3-9H,10-12H2,1-2H3/t23-/m0/s1.
What are the key properties of 2-[[(S)-(1-benzylimidazol-2-yl)methylsulfinyl]methyl]-4,5-dimethyl-1,3-oxazole?
2-[[(S)-(1-benzylimidazol-2-yl)methylsulfinyl]methyl]-4,5-dimethyl-1,3-oxazole has a molecular weight of 329.43 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(S)-(1-benzylimidazol-2-yl)methylsulfinyl]methyl]-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 99782674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).