4-[1-(benzenesulfonyl)-3-ethylpyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole

C20H19N3O3S — CID 123257725

IUPAC4-[1-(benzenesulfonyl)-3-ethylpyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCCc1cn(S(=O)(=O)c2ccccc2)c2ncc(-c3c(C)noc3C)cc12
InChIInChI=1S/C20H19N3O3S/c1-4-15-12-23(27(24,25)17-8-6-5-7-9-17)20-18(15)10-16(11-21-20)19-13(2)22-26-14(19)3/h5-12H,4H2,1-3H3
InChIKeyZESNLBKKMDVWPH-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.11
Rot. Bonds4

About 4-[1-(benzenesulfonyl)-3-ethylpyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole

4-[1-(benzenesulfonyl)-3-ethylpyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 123257725) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 4-[1-(benzenesulfonyl)-3-ethylpyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[1-(benzenesulfonyl)-3-ethylpyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID123257725
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name4-[1-(benzenesulfonyl)-3-ethylpyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCCc1cn(S(=O)(=O)c2ccccc2)c2ncc(-c3c(C)noc3C)cc12
InChIInChI=1S/C20H19N3O3S/c1-4-15-12-23(27(24,25)17-8-6-5-7-9-17)20-18(15)10-16(11-21-20)19-13(2)22-26-14(19)3/h5-12H,4H2,1-3H3
InChIKeyZESNLBKKMDVWPH-UHFFFAOYSA-N
XLogP4.11
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[1-(benzenesulfonyl)-3-ethylpyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3,4-dimethyl-5-isoxazolyl)-2-methyl-N~1~-(2-pyridyl)-1-benzenesulfonamide
CID 16025035
3,5-Dimethyl-4-[6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1,2-oxazole
CID 127045872
7-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-N-hydroxyheptanamide
CID 168275989
4-[2-(4-fluorophenyl)-3-(3-pyridylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-isoxazole
CID 86267503
4-[3-[(4,4-difluorocyclohexyl)-methoxy-methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-isoxazole
CID 90426108
4-[3-[(4,4-difluorocyclohexyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-isoxazole
CID 90426265
4-[3-(3-fluorophenyl)sulfanyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-isoxazole
CID 90427356
4-[3-(3-fluorophenyl)sulfinyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole
CID 90448946
4-[3-(3-fluorophenyl)sulfonyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole
CID 90448947
4-[3-[cyclopropyl-(4-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-isoxazole
CID 90449059
4-[3-[(4,4-difluorocyclohexyl)-methoxy-methyl]-2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-isoxazole
CID 117628203
1-[4-[[5-(3,5-Dimethylisoxazol-4-yl)-1-methyl-pyrrolo[2,3-b]pyridin-3-yl]methyl]-1-piperidyl]-2,2,2-trifluoro-ethanone
CID 117628223

Frequently Asked Questions

What is the IUPAC name of 4-[1-(benzenesulfonyl)-3-ethylpyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[1-(benzenesulfonyl)-3-ethylpyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole (CID 123257725) is 4-[1-(benzenesulfonyl)-3-ethylpyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[1-(benzenesulfonyl)-3-ethylpyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[1-(benzenesulfonyl)-3-ethylpyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole is CCc1cn(S(=O)(=O)c2ccccc2)c2ncc(-c3c(C)noc3C)cc12.
What is the InChIKey of 4-[1-(benzenesulfonyl)-3-ethylpyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is ZESNLBKKMDVWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-4-15-12-23(27(24,25)17-8-6-5-7-9-17)20-18(15)10-16(11-21-20)19-13(2)22-26-14(19)3/h5-12H,4H2,1-3H3.
What are the key properties of 4-[1-(benzenesulfonyl)-3-ethylpyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole?
4-[1-(benzenesulfonyl)-3-ethylpyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 381.46 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(benzenesulfonyl)-3-ethylpyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 123257725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).