4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole

C19H20FN3O3S — CID 24743698

IUPAC4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2cc(F)ccc21
InChIInChI=1S/C19H20FN3O3S/c1-12-19(13(2)26-21-12)27(24,25)23-11-17(14-6-8-22(3)9-7-14)16-10-15(20)4-5-18(16)23/h4-6,10-11H,7-9H2,1-3H3
InChIKeyUVHDVNJJQSDNJV-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.34
Rot. Bonds3

About 4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole

4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole (PubChem CID 24743698) has the molecular formula C19H20FN3O3S and a molecular weight of 389.45 g/mol. Its IUPAC name is 4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
PubChem CID24743698
Molecular FormulaC19H20FN3O3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC Name4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2cc(F)ccc21
InChIInChI=1S/C19H20FN3O3S/c1-12-19(13(2)26-21-12)27(24,25)23-11-17(14-6-8-22(3)9-7-14)16-10-15(20)4-5-18(16)23/h4-6,10-11H,7-9H2,1-3H3
InChIKeyUVHDVNJJQSDNJV-UHFFFAOYSA-N
XLogP3.34
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole (CID 24743698) is 4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2cc(F)ccc21.
What is the InChIKey of 4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
The InChIKey is UVHDVNJJQSDNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S/c1-12-19(13(2)26-21-12)27(24,25)23-11-17(14-6-8-22(3)9-7-14)16-10-15(20)4-5-18(16)23/h4-6,10-11H,7-9H2,1-3H3.
What are the key properties of 4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole has a molecular weight of 389.45 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 24743698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).