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

C21H16N4O2 — CID 156851093

IUPAC(5S)-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)CCC[C@@H]2Oc1ccc2[nH]nc(-c3cnco3)c2c1
InChIInChI=1S/C21H16N4O2/c22-10-13-4-6-16-14(8-13)2-1-3-19(16)27-15-5-7-18-17(9-15)21(25-24-18)20-11-23-12-26-20/h4-9,11-12,19H,1-3H2,(H,24,25)/t19-/m0/s1
InChIKeyGOEQEFOKCGXVIK-IBGZPJMESA-N
MW356.39 g/mol
LogP4.55
Rot. Bonds3

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

(5S)-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (PubChem CID 156851093) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is (5S)-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name(5S)-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
PubChem CID156851093
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name(5S)-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)CCC[C@@H]2Oc1ccc2[nH]nc(-c3cnco3)c2c1
InChIInChI=1S/C21H16N4O2/c22-10-13-4-6-16-14(8-13)2-1-3-19(16)27-15-5-7-18-17(9-15)21(25-24-18)20-11-23-12-26-20/h4-9,11-12,19H,1-3H2,(H,24,25)/t19-/m0/s1
InChIKeyGOEQEFOKCGXVIK-IBGZPJMESA-N
XLogP4.55
TPSA87.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
CID 166727811
(5S)-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 166727950
(1R)-6-fluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
CID 156850540
(5R)-3-fluoro-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 156850552
(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
(1R)-4-fluoro-1-[[3-(2-methyl-1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
CID 156850623
(1S)-4,6-difluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
CID 156850700
4-fluoro-1-[1-(hydroxymethyl)-3-(2-methyl-1,3-oxazol-5-yl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile
CID 156850751
5-[4-Amino-3-(1,3-oxazole-5-carboximidoyl)phenoxy]-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 156851026
(1S)-6-fluoro-1-[[3-(2-methyl-1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
CID 159404750
(1R)-6-fluoro-1-[[3-(2-methyl-1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
CID 159404751
(5S)-3-fluoro-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 161399763

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The IUPAC name of (5S)-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CID 156851093) is (5S)-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)-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The canonical SMILES for (5S)-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is N#Cc1ccc2c(c1)CCC[C@@H]2Oc1ccc2[nH]nc(-c3cnco3)c2c1.
What is the InChIKey of (5S)-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The InChIKey is GOEQEFOKCGXVIK-IBGZPJMESA-N. The full InChI is InChI=1S/C21H16N4O2/c22-10-13-4-6-16-14(8-13)2-1-3-19(16)27-15-5-7-18-17(9-15)21(25-24-18)20-11-23-12-26-20/h4-9,11-12,19H,1-3H2,(H,24,25)/t19-/m0/s1.
What are the key properties of (5S)-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
(5S)-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile has a molecular weight of 356.39 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 156851093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).