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

C20H14N4O2 — CID 166727811

IUPAC(1S)-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
SMILESN#Cc1ccc2c(c1)CC[C@@H]2Oc1ccc2[nH]nc(-c3cnco3)c2c1
InChIInChI=1S/C20H14N4O2/c21-9-12-1-4-15-13(7-12)2-6-18(15)26-14-3-5-17-16(8-14)20(24-23-17)19-10-22-11-25-19/h1,3-5,7-8,10-11,18H,2,6H2,(H,23,24)/t18-/m0/s1
InChIKeyIHNLOAINBLZPTI-SFHVURJKSA-N
MW342.36 g/mol
LogP4.16
Rot. Bonds3

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

(1S)-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile (PubChem CID 166727811) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is (1S)-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile.

Molecular Properties

Compound Name(1S)-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
PubChem CID166727811
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC Name(1S)-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
SMILESN#Cc1ccc2c(c1)CC[C@@H]2Oc1ccc2[nH]nc(-c3cnco3)c2c1
InChIInChI=1S/C20H14N4O2/c21-9-12-1-4-15-13(7-12)2-6-18(15)26-14-3-5-17-16(8-14)20(24-23-17)19-10-22-11-25-19/h1,3-5,7-8,10-11,18H,2,6H2,(H,23,24)/t18-/m0/s1
InChIKeyIHNLOAINBLZPTI-SFHVURJKSA-N
XLogP4.16
TPSA87.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile?
The IUPAC name of (1S)-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile (CID 166727811) is (1S)-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)-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile?
The canonical SMILES for (1S)-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile is N#Cc1ccc2c(c1)CC[C@@H]2Oc1ccc2[nH]nc(-c3cnco3)c2c1.
What is the InChIKey of (1S)-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile?
The InChIKey is IHNLOAINBLZPTI-SFHVURJKSA-N. The full InChI is InChI=1S/C20H14N4O2/c21-9-12-1-4-15-13(7-12)2-6-18(15)26-14-3-5-17-16(8-14)20(24-23-17)19-10-22-11-25-19/h1,3-5,7-8,10-11,18H,2,6H2,(H,23,24)/t18-/m0/s1.
What are the key properties of (1S)-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile?
(1S)-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile has a molecular weight of 342.36 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile is sourced from PubChem (CID 166727811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).