(4R)-4-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-4,5,6,7-tetrahydro-1,3-benzoxazole-2-carbonitrile

C18H14N6O2 — CID 166727894

IUPAC(4R)-4-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-4,5,6,7-tetrahydro-1,3-benzoxazole-2-carbonitrile
SMILESN#Cc1nc2c(o1)CCC[C@H]2Nc1ccc2[nH]nc(-c3cnco3)c2c1
InChIInChI=1S/C18H14N6O2/c19-7-16-22-18-13(2-1-3-14(18)26-16)21-10-4-5-12-11(6-10)17(24-23-12)15-8-20-9-25-15/h4-6,8-9,13,21H,1-3H2,(H,23,24)/t13-/m1/s1
InChIKeyALCDIRKPAAHSJY-CYBMUJFWSA-N
MW346.35 g/mol
LogP3.57
Rot. Bonds3

About (4R)-4-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-4,5,6,7-tetrahydro-1,3-benzoxazole-2-carbonitrile

(4R)-4-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-4,5,6,7-tetrahydro-1,3-benzoxazole-2-carbonitrile (PubChem CID 166727894) has the molecular formula C18H14N6O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is (4R)-4-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-4,5,6,7-tetrahydro-1,3-benzoxazole-2-carbonitrile.

Molecular Properties

Compound Name(4R)-4-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-4,5,6,7-tetrahydro-1,3-benzoxazole-2-carbonitrile
PubChem CID166727894
Molecular FormulaC18H14N6O2
Molecular Weight346.35 g/mol
Exact Mass346.12
IUPAC Name(4R)-4-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-4,5,6,7-tetrahydro-1,3-benzoxazole-2-carbonitrile
SMILESN#Cc1nc2c(o1)CCC[C@H]2Nc1ccc2[nH]nc(-c3cnco3)c2c1
InChIInChI=1S/C18H14N6O2/c19-7-16-22-18-13(2-1-3-14(18)26-16)21-10-4-5-12-11(6-10)17(24-23-12)15-8-20-9-25-15/h4-6,8-9,13,21H,1-3H2,(H,23,24)/t13-/m1/s1
InChIKeyALCDIRKPAAHSJY-CYBMUJFWSA-N
XLogP3.57
TPSA116.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (4R)-4-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-4,5,6,7-tetrahydro-1,3-benzoxazole-2-carbonitrile with MolForge

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Related Compounds

(8S)-4-methyl-8-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 166727871
(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)-2,4-dimethyl-8-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 166727717
2,4-dimethyl-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 168727970
3-bromo-4-chloro-N-[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 156850826
(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
(1R)-2,2-difluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-1,3-dihydroindene-5-carbonitrile
CID 163743127
(8S)-2-methoxy-8-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 166727990
(7S)-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carbonitrile
CID 166727908
CID 174061080
CID 174061080
(8R)-8-[[3-(3-methyl-1,2-thiazol-5-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 166727985

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-4,5,6,7-tetrahydro-1,3-benzoxazole-2-carbonitrile?
The IUPAC name of (4R)-4-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-4,5,6,7-tetrahydro-1,3-benzoxazole-2-carbonitrile (CID 166727894) is (4R)-4-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-4,5,6,7-tetrahydro-1,3-benzoxazole-2-carbonitrile.
What is the SMILES notation for (4R)-4-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-4,5,6,7-tetrahydro-1,3-benzoxazole-2-carbonitrile?
The canonical SMILES for (4R)-4-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-4,5,6,7-tetrahydro-1,3-benzoxazole-2-carbonitrile is N#Cc1nc2c(o1)CCC[C@H]2Nc1ccc2[nH]nc(-c3cnco3)c2c1.
What is the InChIKey of (4R)-4-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-4,5,6,7-tetrahydro-1,3-benzoxazole-2-carbonitrile?
The InChIKey is ALCDIRKPAAHSJY-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H14N6O2/c19-7-16-22-18-13(2-1-3-14(18)26-16)21-10-4-5-12-11(6-10)17(24-23-12)15-8-20-9-25-15/h4-6,8-9,13,21H,1-3H2,(H,23,24)/t13-/m1/s1.
What are the key properties of (4R)-4-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-4,5,6,7-tetrahydro-1,3-benzoxazole-2-carbonitrile?
(4R)-4-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-4,5,6,7-tetrahydro-1,3-benzoxazole-2-carbonitrile has a molecular weight of 346.35 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-4,5,6,7-tetrahydro-1,3-benzoxazole-2-carbonitrile is sourced from PubChem (CID 166727894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).