(5S)-3-fluoro-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

C21H15FN4O2 — CID 161399763

About (5S)-3-fluoro-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

(5S)-3-fluoro-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (PubChem CID 161399763) has the molecular formula C21H15FN4O2 and a molecular weight of 374.38 g/mol. Its IUPAC name is (5S)-3-fluoro-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

Molecular Properties

• Compound Name: (5S)-3-fluoro-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
• PubChem CID: 161399763
• Molecular Formula: C21H15FN4O2
• Molecular Weight: 374.38 g/mol
• Exact Mass: 374.12
• IUPAC Name: (5S)-3-fluoro-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
• SMILES: N#Cc1cc2c(cc1F)[C@@H](Oc1ccc3[nH]nc(-c4cnco4)c3c1)CCC2
• InChI: InChI=1S/C21H15FN4O2/c22-17-8-15-12(6-13(17)9-23)2-1-3-19(15)28-14-4-5-18-16(7-14)21(26-25-18)20-10-24-11-27-20/h4-8,10-11,19H,1-3H2,(H,25,26)/t19-/m0/s1
• InChIKey: VUBQAFWSGWPTMC-IBGZPJMESA-N
• XLogP: 4.69
• 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	4.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5S)-3-fluoro-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?

The IUPAC name of (5S)-3-fluoro-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CID 161399763) is (5S)-3-fluoro-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

What is the SMILES notation for (5S)-3-fluoro-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?

The canonical SMILES for (5S)-3-fluoro-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is N#Cc1cc2c(cc1F)[C@@H](Oc1ccc3[nH]nc(-c4cnco4)c3c1)CCC2.

What is the InChIKey of (5S)-3-fluoro-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?

The InChIKey is VUBQAFWSGWPTMC-IBGZPJMESA-N. The full InChI is InChI=1S/C21H15FN4O2/c22-17-8-15-12(6-13(17)9-23)2-1-3-19(15)28-14-4-5-18-16(7-14)21(26-25-18)20-10-24-11-27-20/h4-8,10-11,19H,1-3H2,(H,25,26)/t19-/m0/s1.

What are the key properties of (5S)-3-fluoro-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?

(5S)-3-fluoro-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile has a molecular weight of 374.38 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-3-fluoro-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 161399763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).