2-(4-methoxyphenyl)-4-[(2-methylsulfonylbenzimidazol-1-yl)methyl]-1,3-oxazole

C19H17N3O4S — CID 30835415

IUPAC2-(4-methoxyphenyl)-4-[(2-methylsulfonylbenzimidazol-1-yl)methyl]-1,3-oxazole
SMILESCOc1ccc(-c2nc(Cn3c(S(C)(=O)=O)nc4ccccc43)co2)cc1
InChIInChI=1S/C19H17N3O4S/c1-25-15-9-7-13(8-10-15)18-20-14(12-26-18)11-22-17-6-4-3-5-16(17)21-19(22)27(2,23)24/h3-10,12H,11H2,1-2H3
InChIKeyKDKMKASDGHNNIS-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.15
Rot. Bonds5

About 2-(4-methoxyphenyl)-4-[(2-methylsulfonylbenzimidazol-1-yl)methyl]-1,3-oxazole

2-(4-methoxyphenyl)-4-[(2-methylsulfonylbenzimidazol-1-yl)methyl]-1,3-oxazole (PubChem CID 30835415) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-[(2-methylsulfonylbenzimidazol-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-[(2-methylsulfonylbenzimidazol-1-yl)methyl]-1,3-oxazole
PubChem CID30835415
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC Name2-(4-methoxyphenyl)-4-[(2-methylsulfonylbenzimidazol-1-yl)methyl]-1,3-oxazole
SMILESCOc1ccc(-c2nc(Cn3c(S(C)(=O)=O)nc4ccccc43)co2)cc1
InChIInChI=1S/C19H17N3O4S/c1-25-15-9-7-13(8-10-15)18-20-14(12-26-18)11-22-17-6-4-3-5-16(17)21-19(22)27(2,23)24/h3-10,12H,11H2,1-2H3
InChIKeyKDKMKASDGHNNIS-UHFFFAOYSA-N
XLogP3.15
TPSA87.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-[(2-methylsulfonylbenzimidazol-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-(4-methoxyphenyl)-4-[(2-methylsulfonylbenzimidazol-1-yl)methyl]-1,3-oxazole (CID 30835415) is 2-(4-methoxyphenyl)-4-[(2-methylsulfonylbenzimidazol-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-[(2-methylsulfonylbenzimidazol-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-(4-methoxyphenyl)-4-[(2-methylsulfonylbenzimidazol-1-yl)methyl]-1,3-oxazole is COc1ccc(-c2nc(Cn3c(S(C)(=O)=O)nc4ccccc43)co2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-[(2-methylsulfonylbenzimidazol-1-yl)methyl]-1,3-oxazole?
The InChIKey is KDKMKASDGHNNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-25-15-9-7-13(8-10-15)18-20-14(12-26-18)11-22-17-6-4-3-5-16(17)21-19(22)27(2,23)24/h3-10,12H,11H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-4-[(2-methylsulfonylbenzimidazol-1-yl)methyl]-1,3-oxazole?
2-(4-methoxyphenyl)-4-[(2-methylsulfonylbenzimidazol-1-yl)methyl]-1,3-oxazole has a molecular weight of 383.43 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-[(2-methylsulfonylbenzimidazol-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 30835415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).