5-[5-fluoro-3-methylsulfonyl-1-(naphthalen-2-ylmethyl)indol-7-yl]-1,2-oxazol-3-amine

C23H18FN3O3S — CID 69471071

IUPAC5-[5-fluoro-3-methylsulfonyl-1-(naphthalen-2-ylmethyl)indol-7-yl]-1,2-oxazol-3-amine
SMILESCS(=O)(=O)c1cn(Cc2ccc3ccccc3c2)c2c(-c3cc(N)no3)cc(F)cc12
InChIInChI=1S/C23H18FN3O3S/c1-31(28,29)21-13-27(12-14-6-7-15-4-2-3-5-16(15)8-14)23-18(9-17(24)10-19(21)23)20-11-22(25)26-30-20/h2-11,13H,12H2,1H3,(H2,25,26)
InChIKeyYTBACANXHSMLSM-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.62
Rot. Bonds4

About 5-[5-fluoro-3-methylsulfonyl-1-(naphthalen-2-ylmethyl)indol-7-yl]-1,2-oxazol-3-amine

5-[5-fluoro-3-methylsulfonyl-1-(naphthalen-2-ylmethyl)indol-7-yl]-1,2-oxazol-3-amine (PubChem CID 69471071) has the molecular formula C23H18FN3O3S and a molecular weight of 435.48 g/mol. Its IUPAC name is 5-[5-fluoro-3-methylsulfonyl-1-(naphthalen-2-ylmethyl)indol-7-yl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[5-fluoro-3-methylsulfonyl-1-(naphthalen-2-ylmethyl)indol-7-yl]-1,2-oxazol-3-amine
PubChem CID69471071
Molecular FormulaC23H18FN3O3S
Molecular Weight435.48 g/mol
Exact Mass435.11
IUPAC Name5-[5-fluoro-3-methylsulfonyl-1-(naphthalen-2-ylmethyl)indol-7-yl]-1,2-oxazol-3-amine
SMILESCS(=O)(=O)c1cn(Cc2ccc3ccccc3c2)c2c(-c3cc(N)no3)cc(F)cc12
InChIInChI=1S/C23H18FN3O3S/c1-31(28,29)21-13-27(12-14-6-7-15-4-2-3-5-16(15)8-14)23-18(9-17(24)10-19(21)23)20-11-22(25)26-30-20/h2-11,13H,12H2,1H3,(H2,25,26)
InChIKeyYTBACANXHSMLSM-UHFFFAOYSA-N
XLogP4.62
TPSA91.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-fluoro-3-methylsulfonyl-1-(naphthalen-2-ylmethyl)indol-7-yl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[5-fluoro-3-methylsulfonyl-1-(naphthalen-2-ylmethyl)indol-7-yl]-1,2-oxazol-3-amine (CID 69471071) is 5-[5-fluoro-3-methylsulfonyl-1-(naphthalen-2-ylmethyl)indol-7-yl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[5-fluoro-3-methylsulfonyl-1-(naphthalen-2-ylmethyl)indol-7-yl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[5-fluoro-3-methylsulfonyl-1-(naphthalen-2-ylmethyl)indol-7-yl]-1,2-oxazol-3-amine is CS(=O)(=O)c1cn(Cc2ccc3ccccc3c2)c2c(-c3cc(N)no3)cc(F)cc12.
What is the InChIKey of 5-[5-fluoro-3-methylsulfonyl-1-(naphthalen-2-ylmethyl)indol-7-yl]-1,2-oxazol-3-amine?
The InChIKey is YTBACANXHSMLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O3S/c1-31(28,29)21-13-27(12-14-6-7-15-4-2-3-5-16(15)8-14)23-18(9-17(24)10-19(21)23)20-11-22(25)26-30-20/h2-11,13H,12H2,1H3,(H2,25,26).
What are the key properties of 5-[5-fluoro-3-methylsulfonyl-1-(naphthalen-2-ylmethyl)indol-7-yl]-1,2-oxazol-3-amine?
5-[5-fluoro-3-methylsulfonyl-1-(naphthalen-2-ylmethyl)indol-7-yl]-1,2-oxazol-3-amine has a molecular weight of 435.48 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-fluoro-3-methylsulfonyl-1-(naphthalen-2-ylmethyl)indol-7-yl]-1,2-oxazol-3-amine is sourced from PubChem (CID 69471071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).