5-methyl-3-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,2-oxazole

C15H15N3OS — CID 17390633

IUPAC5-methyl-3-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,2-oxazole
SMILESCc1cc(CSc2ncc(-c3ccccc3)n2C)no1
InChIInChI=1S/C15H15N3OS/c1-11-8-13(17-19-11)10-20-15-16-9-14(18(15)2)12-6-4-3-5-7-12/h3-9H,10H2,1-2H3
InChIKeyAJXCDKXPYJOOPR-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.68
Rot. Bonds4

About 5-methyl-3-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,2-oxazole

5-methyl-3-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,2-oxazole (PubChem CID 17390633) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-methyl-3-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,2-oxazole
PubChem CID17390633
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name5-methyl-3-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,2-oxazole
SMILESCc1cc(CSc2ncc(-c3ccccc3)n2C)no1
InChIInChI=1S/C15H15N3OS/c1-11-8-13(17-19-11)10-20-15-16-9-14(18(15)2)12-6-4-3-5-7-12/h3-9H,10H2,1-2H3
InChIKeyAJXCDKXPYJOOPR-UHFFFAOYSA-N
XLogP3.68
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_5_A(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,2-oxazole (CID 17390633) is 5-methyl-3-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,2-oxazole is Cc1cc(CSc2ncc(-c3ccccc3)n2C)no1.
What is the InChIKey of 5-methyl-3-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,2-oxazole?
The InChIKey is AJXCDKXPYJOOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-11-8-13(17-19-11)10-20-15-16-9-14(18(15)2)12-6-4-3-5-7-12/h3-9H,10H2,1-2H3.
What are the key properties of 5-methyl-3-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,2-oxazole?
5-methyl-3-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,2-oxazole has a molecular weight of 285.37 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,2-oxazole is sourced from PubChem (CID 17390633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).