(1R)-4,6-difluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile

C20H12F2N4O2 — CID 156850611

IUPAC(1R)-4,6-difluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
SMILESN#Cc1c(F)cc2c(c1F)CC[C@H]2Oc1ccc2[nH]nc(-c3cnco3)c2c1
InChIInChI=1S/C20H12F2N4O2/c21-15-6-12-11(19(22)14(15)7-23)2-4-17(12)28-10-1-3-16-13(5-10)20(26-25-16)18-8-24-9-27-18/h1,3,5-6,8-9,17H,2,4H2,(H,25,26)/t17-/m1/s1
InChIKeyQECZYDHPMORWRE-QGZVFWFLSA-N
MW378.34 g/mol
LogP4.43
Rot. Bonds3

About (1R)-4,6-difluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile

(1R)-4,6-difluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile (PubChem CID 156850611) has the molecular formula C20H12F2N4O2 and a molecular weight of 378.34 g/mol. Its IUPAC name is (1R)-4,6-difluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile.

Molecular Properties

Compound Name(1R)-4,6-difluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
PubChem CID156850611
Molecular FormulaC20H12F2N4O2
Molecular Weight378.34 g/mol
Exact Mass378.09
IUPAC Name(1R)-4,6-difluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
SMILESN#Cc1c(F)cc2c(c1F)CC[C@H]2Oc1ccc2[nH]nc(-c3cnco3)c2c1
InChIInChI=1S/C20H12F2N4O2/c21-15-6-12-11(19(22)14(15)7-23)2-4-17(12)28-10-1-3-16-13(5-10)20(26-25-16)18-8-24-9-27-18/h1,3,5-6,8-9,17H,2,4H2,(H,25,26)/t17-/m1/s1
InChIKeyQECZYDHPMORWRE-QGZVFWFLSA-N
XLogP4.43
TPSA87.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-4,6-difluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile?
The IUPAC name of (1R)-4,6-difluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile (CID 156850611) is (1R)-4,6-difluoro-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)-4,6-difluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile?
The canonical SMILES for (1R)-4,6-difluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile is N#Cc1c(F)cc2c(c1F)CC[C@H]2Oc1ccc2[nH]nc(-c3cnco3)c2c1.
What is the InChIKey of (1R)-4,6-difluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile?
The InChIKey is QECZYDHPMORWRE-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H12F2N4O2/c21-15-6-12-11(19(22)14(15)7-23)2-4-17(12)28-10-1-3-16-13(5-10)20(26-25-16)18-8-24-9-27-18/h1,3,5-6,8-9,17H,2,4H2,(H,25,26)/t17-/m1/s1.
What are the key properties of (1R)-4,6-difluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile?
(1R)-4,6-difluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile has a molecular weight of 378.34 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4,6-difluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile is sourced from PubChem (CID 156850611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).