(1R)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile

C21H16N4O2 — CID 156850668

IUPAC(1R)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
SMILESCc1cc(C#N)cc2c1[C@H](Oc1ccc3[nH]nc(-c4cnco4)c3c1)CC2
InChIInChI=1S/C21H16N4O2/c1-12-6-13(9-22)7-14-2-5-18(20(12)14)27-15-3-4-17-16(8-15)21(25-24-17)19-10-23-11-26-19/h3-4,6-8,10-11,18H,2,5H2,1H3,(H,24,25)/t18-/m1/s1
InChIKeyYNNNHDPWGFMBCK-GOSISDBHSA-N
MW356.39 g/mol
LogP4.46
Rot. Bonds3

About (1R)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile

(1R)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile (PubChem CID 156850668) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is (1R)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile.

Molecular Properties

Compound Name(1R)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
PubChem CID156850668
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name(1R)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
SMILESCc1cc(C#N)cc2c1[C@H](Oc1ccc3[nH]nc(-c4cnco4)c3c1)CC2
InChIInChI=1S/C21H16N4O2/c1-12-6-13(9-22)7-14-2-5-18(20(12)14)27-15-3-4-17-16(8-15)21(25-24-17)19-10-23-11-26-19/h3-4,6-8,10-11,18H,2,5H2,1H3,(H,24,25)/t18-/m1/s1
InChIKeyYNNNHDPWGFMBCK-GOSISDBHSA-N
XLogP4.46
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 ≤ 54.46
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
(1R)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile
CID 156850529
(1S)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile
CID 156850944
(7S)-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carbonitrile
CID 166727908
(1S)-4-fluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
CID 166722473
(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
(8S)-2-methoxy-8-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 166727990
(1S)-1-[[3-(1,3-oxazol-5-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
CID 163885900
(6S)-6-methyl-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]iminomethyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 163444066
(1S)-1-[[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
CID 163456910
(8R)-4-methyl-8-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 156851145
(8S)-4-methyl-8-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 166727871

Frequently Asked Questions

What is the IUPAC name of (1R)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile?
The IUPAC name of (1R)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile (CID 156850668) is (1R)-7-methyl-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)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile?
The canonical SMILES for (1R)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile is Cc1cc(C#N)cc2c1[C@H](Oc1ccc3[nH]nc(-c4cnco4)c3c1)CC2.
What is the InChIKey of (1R)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile?
The InChIKey is YNNNHDPWGFMBCK-GOSISDBHSA-N. The full InChI is InChI=1S/C21H16N4O2/c1-12-6-13(9-22)7-14-2-5-18(20(12)14)27-15-3-4-17-16(8-15)21(25-24-17)19-10-23-11-26-19/h3-4,6-8,10-11,18H,2,5H2,1H3,(H,24,25)/t18-/m1/s1.
What are the key properties of (1R)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile?
(1R)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile has a molecular weight of 356.39 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile is sourced from PubChem (CID 156850668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).