7-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,2-difluoro-6-methyl-[1,3]dioxolo[4,5-f]benzimidazole

C14H11F2N3O5S — CID 20691397

IUPAC7-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,2-difluoro-6-methyl-[1,3]dioxolo[4,5-f]benzimidazole
SMILESCc1noc(C)c1S(=O)(=O)n1c(C)nc2cc3c(cc21)OC(F)(F)O3
InChIInChI=1S/C14H11F2N3O5S/c1-6-13(7(2)24-18-6)25(20,21)19-8(3)17-9-4-11-12(5-10(9)19)23-14(15,16)22-11/h4-5H,1-3H3
InChIKeyHGAWCFCKDVJLJU-UHFFFAOYSA-N
MW371.32 g/mol
LogP2.51
Rot. Bonds2

About 7-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,2-difluoro-6-methyl-[1,3]dioxolo[4,5-f]benzimidazole

7-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,2-difluoro-6-methyl-[1,3]dioxolo[4,5-f]benzimidazole (PubChem CID 20691397) has the molecular formula C14H11F2N3O5S and a molecular weight of 371.32 g/mol. Its IUPAC name is 7-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,2-difluoro-6-methyl-[1,3]dioxolo[4,5-f]benzimidazole.

Molecular Properties

Compound Name7-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,2-difluoro-6-methyl-[1,3]dioxolo[4,5-f]benzimidazole
PubChem CID20691397
Molecular FormulaC14H11F2N3O5S
Molecular Weight371.32 g/mol
Exact Mass371.04
IUPAC Name7-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,2-difluoro-6-methyl-[1,3]dioxolo[4,5-f]benzimidazole
SMILESCc1noc(C)c1S(=O)(=O)n1c(C)nc2cc3c(cc21)OC(F)(F)O3
InChIInChI=1S/C14H11F2N3O5S/c1-6-13(7(2)24-18-6)25(20,21)19-8(3)17-9-4-11-12(5-10(9)19)23-14(15,16)22-11/h4-5H,1-3H3
InChIKeyHGAWCFCKDVJLJU-UHFFFAOYSA-N
XLogP2.51
TPSA96.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 7-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,2-difluoro-[1,3]dioxolo[4,5-f]benzimidazole-6-carboximidothioate
CID 54166442
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 24532822
6,6,7,7-tetrafluoro-3-thiophen-2-ylsulfonyl-[1,4]dioxino[2,3-f]benzimidazole-2-carbonitrile
CID 54357745
8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42065050
3,4-dibromo-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methylpyrrole-2-carbonitrile
CID 11464376
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-amine
CID 65245066
3,5-dimethyl-N-(1-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-4-sulfonamide
CID 110779168
3,5-dimethyl-4-[[2-(1-methylbenzimidazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]-1,2-oxazole
CID 154581532
4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 26545041
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63149662
3,5-dimethyl-1,2-oxazole-4-sulfonic acid;hydrochloride
CID 142193627
3,5-dimethyl-4-(1,3-oxazolidin-3-ylsulfonyl)-1,2-oxazole
CID 110740099

Frequently Asked Questions

What is the IUPAC name of 7-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,2-difluoro-6-methyl-[1,3]dioxolo[4,5-f]benzimidazole?
The IUPAC name of 7-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,2-difluoro-6-methyl-[1,3]dioxolo[4,5-f]benzimidazole (CID 20691397) is 7-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,2-difluoro-6-methyl-[1,3]dioxolo[4,5-f]benzimidazole.
What is the SMILES notation for 7-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,2-difluoro-6-methyl-[1,3]dioxolo[4,5-f]benzimidazole?
The canonical SMILES for 7-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,2-difluoro-6-methyl-[1,3]dioxolo[4,5-f]benzimidazole is Cc1noc(C)c1S(=O)(=O)n1c(C)nc2cc3c(cc21)OC(F)(F)O3.
What is the InChIKey of 7-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,2-difluoro-6-methyl-[1,3]dioxolo[4,5-f]benzimidazole?
The InChIKey is HGAWCFCKDVJLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O5S/c1-6-13(7(2)24-18-6)25(20,21)19-8(3)17-9-4-11-12(5-10(9)19)23-14(15,16)22-11/h4-5H,1-3H3.
What are the key properties of 7-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,2-difluoro-6-methyl-[1,3]dioxolo[4,5-f]benzimidazole?
7-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,2-difluoro-6-methyl-[1,3]dioxolo[4,5-f]benzimidazole has a molecular weight of 371.32 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,2-difluoro-6-methyl-[1,3]dioxolo[4,5-f]benzimidazole is sourced from PubChem (CID 20691397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).