(1S)-6-fluoro-1-[[3-(2-methyl-1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile

C21H15FN4O2 — CID 159404750

About (1S)-6-fluoro-1-[[3-(2-methyl-1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile

(1S)-6-fluoro-1-[[3-(2-methyl-1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile (PubChem CID 159404750) has the molecular formula C21H15FN4O2 and a molecular weight of 374.38 g/mol. Its IUPAC name is (1S)-6-fluoro-1-[[3-(2-methyl-1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile.

Molecular Properties

• Compound Name: (1S)-6-fluoro-1-[[3-(2-methyl-1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
• PubChem CID: 159404750
• Molecular Formula: C21H15FN4O2
• Molecular Weight: 374.38 g/mol
• Exact Mass: 374.12
• IUPAC Name: (1S)-6-fluoro-1-[[3-(2-methyl-1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
• SMILES: Cc1ncc(-c2n[nH]c3ccc(O[C@H]4CCc5cc(C#N)c(F)cc54)cc23)o1
• InChI: InChI=1S/C21H15FN4O2/c1-11-24-10-20(27-11)21-16-7-14(3-4-18(16)25-26-21)28-19-5-2-12-6-13(9-23)17(22)8-15(12)19/h3-4,6-8,10,19H,2,5H2,1H3,(H,25,26)/t19-/m0/s1
• InChIKey: LNUQOJOAHMFNNM-IBGZPJMESA-N
• XLogP: 4.60
• TPSA: 87.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.38
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (1S)-6-fluoro-1-[[3-(2-methyl-1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile?

The IUPAC name of (1S)-6-fluoro-1-[[3-(2-methyl-1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile (CID 159404750) is (1S)-6-fluoro-1-[[3-(2-methyl-1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile.

What is the SMILES notation for (1S)-6-fluoro-1-[[3-(2-methyl-1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile?

The canonical SMILES for (1S)-6-fluoro-1-[[3-(2-methyl-1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile is Cc1ncc(-c2n[nH]c3ccc(O[C@H]4CCc5cc(C#N)c(F)cc54)cc23)o1.

What is the InChIKey of (1S)-6-fluoro-1-[[3-(2-methyl-1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile?

The InChIKey is LNUQOJOAHMFNNM-IBGZPJMESA-N. The full InChI is InChI=1S/C21H15FN4O2/c1-11-24-10-20(27-11)21-16-7-14(3-4-18(16)25-26-21)28-19-5-2-12-6-13(9-23)17(22)8-15(12)19/h3-4,6-8,10,19H,2,5H2,1H3,(H,25,26)/t19-/m0/s1.

What are the key properties of (1S)-6-fluoro-1-[[3-(2-methyl-1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile?

(1S)-6-fluoro-1-[[3-(2-methyl-1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile has a molecular weight of 374.38 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-6-fluoro-1-[[3-(2-methyl-1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile is sourced from PubChem (CID 159404750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).