(1S)-4-fluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile

C20H13FN4O2 — CID 166722473

IUPAC(1S)-4-fluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
SMILESN#Cc1ccc2c(c1F)CC[C@@H]2Oc1ccc2[nH]nc(-c3cnco3)c2c1
InChIInChI=1S/C20H13FN4O2/c21-19-11(8-22)1-3-13-14(19)4-6-17(13)27-12-2-5-16-15(7-12)20(25-24-16)18-9-23-10-26-18/h1-3,5,7,9-10,17H,4,6H2,(H,24,25)/t17-/m0/s1
InChIKeySOULCEKOBQIDEO-KRWDZBQOSA-N
MW360.35 g/mol
LogP4.29
Rot. Bonds3

About (1S)-4-fluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile

(1S)-4-fluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile (PubChem CID 166722473) has the molecular formula C20H13FN4O2 and a molecular weight of 360.35 g/mol. Its IUPAC name is (1S)-4-fluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile.

Molecular Properties

Compound Name(1S)-4-fluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
PubChem CID166722473
Molecular FormulaC20H13FN4O2
Molecular Weight360.35 g/mol
Exact Mass360.10
IUPAC Name(1S)-4-fluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
SMILESN#Cc1ccc2c(c1F)CC[C@@H]2Oc1ccc2[nH]nc(-c3cnco3)c2c1
InChIInChI=1S/C20H13FN4O2/c21-19-11(8-22)1-3-13-14(19)4-6-17(13)27-12-2-5-16-15(7-12)20(25-24-16)18-9-23-10-26-18/h1-3,5,7,9-10,17H,4,6H2,(H,24,25)/t17-/m0/s1
InChIKeySOULCEKOBQIDEO-KRWDZBQOSA-N
XLogP4.29
TPSA87.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-4-fluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-4-fluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile?
The IUPAC name of (1S)-4-fluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile (CID 166722473) is (1S)-4-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 (1S)-4-fluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile?
The canonical SMILES for (1S)-4-fluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile is N#Cc1ccc2c(c1F)CC[C@@H]2Oc1ccc2[nH]nc(-c3cnco3)c2c1.
What is the InChIKey of (1S)-4-fluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile?
The InChIKey is SOULCEKOBQIDEO-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H13FN4O2/c21-19-11(8-22)1-3-13-14(19)4-6-17(13)27-12-2-5-16-15(7-12)20(25-24-16)18-9-23-10-26-18/h1-3,5,7,9-10,17H,4,6H2,(H,24,25)/t17-/m0/s1.
What are the key properties of (1S)-4-fluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile?
(1S)-4-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 (1S)-4-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 166722473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).