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

C20H13FN4O2 — CID 156850540

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

(1R)-6-fluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile (PubChem CID 156850540) has the molecular formula C20H13FN4O2 and a molecular weight of 360.35 g/mol. Its IUPAC name is (1R)-6-fluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile.

Molecular Properties

• Compound Name: (1R)-6-fluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
• PubChem CID: 156850540
• Molecular Formula: C20H13FN4O2
• Molecular Weight: 360.35 g/mol
• Exact Mass: 360.10
• IUPAC Name: (1R)-6-fluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
• SMILES: N#Cc1cc2c(cc1F)[C@H](Oc1ccc3[nH]nc(-c4cnco4)c3c1)CC2
• InChI: InChI=1S/C20H13FN4O2/c21-16-7-14-11(5-12(16)8-22)1-4-18(14)27-13-2-3-17-15(6-13)20(25-24-17)19-9-23-10-26-19/h2-3,5-7,9-10,18H,1,4H2,(H,24,25)/t18-/m1/s1
• InChIKey: BZBOPIZSBZFWNJ-GOSISDBHSA-N
• XLogP: 4.29
• TPSA: 87.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.35
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (1R)-6-fluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile (CID 156850540) is (1R)-6-fluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile.

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

The canonical SMILES for (1R)-6-fluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile is N#Cc1cc2c(cc1F)[C@H](Oc1ccc3[nH]nc(-c4cnco4)c3c1)CC2.

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

The InChIKey is BZBOPIZSBZFWNJ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H13FN4O2/c21-16-7-14-11(5-12(16)8-22)1-4-18(14)27-13-2-3-17-15(6-13)20(25-24-17)19-9-23-10-26-19/h2-3,5-7,9-10,18H,1,4H2,(H,24,25)/t18-/m1/s1.

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

(1R)-6-fluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile has a molecular weight of 360.35 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-6-fluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile is sourced from PubChem (CID 156850540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).