5-methyl-4-[(2-methylsulfonylimidazol-1-yl)methyl]-2-phenyl-1,3-oxazole

C15H15N3O3S — CID 71981264

IUPAC5-methyl-4-[(2-methylsulfonylimidazol-1-yl)methyl]-2-phenyl-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1Cn1ccnc1S(C)(=O)=O
InChIInChI=1S/C15H15N3O3S/c1-11-13(10-18-9-8-16-15(18)22(2,19)20)17-14(21-11)12-6-4-3-5-7-12/h3-9H,10H2,1-2H3
InChIKeyXLVDVWVRYLFJMY-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.30
Rot. Bonds4

About 5-methyl-4-[(2-methylsulfonylimidazol-1-yl)methyl]-2-phenyl-1,3-oxazole

5-methyl-4-[(2-methylsulfonylimidazol-1-yl)methyl]-2-phenyl-1,3-oxazole (PubChem CID 71981264) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 5-methyl-4-[(2-methylsulfonylimidazol-1-yl)methyl]-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-4-[(2-methylsulfonylimidazol-1-yl)methyl]-2-phenyl-1,3-oxazole
PubChem CID71981264
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name5-methyl-4-[(2-methylsulfonylimidazol-1-yl)methyl]-2-phenyl-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1Cn1ccnc1S(C)(=O)=O
InChIInChI=1S/C15H15N3O3S/c1-11-13(10-18-9-8-16-15(18)22(2,19)20)17-14(21-11)12-6-4-3-5-7-12/h3-9H,10H2,1-2H3
InChIKeyXLVDVWVRYLFJMY-UHFFFAOYSA-N
XLogP2.30
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-4-[(2-methylimidazol-1-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole
CID 56755977
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanamine
CID 15616431
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetaldehyde
CID 18984662
ethyl 1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazole-2-carboxylate
CID 56743702
1-cyclopentyl-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazine-2,3-dione
CID 155977013
5-methyl-4-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 52675581
4-[(2-ethylimidazol-1-yl)methyl]-5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazole
CID 56752749
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 5-sulfamoylfuran-2-carboxylate
CID 55644091
ethyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)imidazole-1-carboxylate
CID 174503447
1-(3,4-difluorophenyl)-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazine-2,3-dione
CID 155977246
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55522198
5-[(2-methylsulfonylimidazol-1-yl)methyl]-1-phenyltetrazole
CID 96568398

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(2-methylsulfonylimidazol-1-yl)methyl]-2-phenyl-1,3-oxazole?
The IUPAC name of 5-methyl-4-[(2-methylsulfonylimidazol-1-yl)methyl]-2-phenyl-1,3-oxazole (CID 71981264) is 5-methyl-4-[(2-methylsulfonylimidazol-1-yl)methyl]-2-phenyl-1,3-oxazole.
What is the SMILES notation for 5-methyl-4-[(2-methylsulfonylimidazol-1-yl)methyl]-2-phenyl-1,3-oxazole?
The canonical SMILES for 5-methyl-4-[(2-methylsulfonylimidazol-1-yl)methyl]-2-phenyl-1,3-oxazole is Cc1oc(-c2ccccc2)nc1Cn1ccnc1S(C)(=O)=O.
What is the InChIKey of 5-methyl-4-[(2-methylsulfonylimidazol-1-yl)methyl]-2-phenyl-1,3-oxazole?
The InChIKey is XLVDVWVRYLFJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-11-13(10-18-9-8-16-15(18)22(2,19)20)17-14(21-11)12-6-4-3-5-7-12/h3-9H,10H2,1-2H3.
What are the key properties of 5-methyl-4-[(2-methylsulfonylimidazol-1-yl)methyl]-2-phenyl-1,3-oxazole?
5-methyl-4-[(2-methylsulfonylimidazol-1-yl)methyl]-2-phenyl-1,3-oxazole has a molecular weight of 317.37 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(2-methylsulfonylimidazol-1-yl)methyl]-2-phenyl-1,3-oxazole is sourced from PubChem (CID 71981264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).