5-[3-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile

C28H31N5O3 — CID 52938929

IUPAC5-[3-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(=O)N3CCCCC3)no2)cc1C#N
InChIInChI=1S/C28H31N5O3/c1-18(2)35-25-12-9-19(15-20(25)16-29)28-31-27(32-36-28)23-8-6-7-22-21(23)10-11-24(22)30-17-26(34)33-13-4-3-5-14-33/h6-9,12,15,18,24,30H,3-5,10-11,13-14,17H2,1-2H3/t24-/m1/s1
InChIKeyRYRNEHIITCNTGA-XMMPIXPASA-N
MW485.59 g/mol
LogP4.65
Rot. Bonds7

About 5-[3-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile

5-[3-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile (PubChem CID 52938929) has the molecular formula C28H31N5O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 5-[3-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile.

Molecular Properties

Compound Name5-[3-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
PubChem CID52938929
Molecular FormulaC28H31N5O3
Molecular Weight485.59 g/mol
Exact Mass485.24
IUPAC Name5-[3-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(=O)N3CCCCC3)no2)cc1C#N
InChIInChI=1S/C28H31N5O3/c1-18(2)35-25-12-9-19(15-20(25)16-29)28-31-27(32-36-28)23-8-6-7-22-21(23)10-11-24(22)30-17-26(34)33-13-4-3-5-14-33/h6-9,12,15,18,24,30H,3-5,10-11,13-14,17H2,1-2H3/t24-/m1/s1
InChIKeyRYRNEHIITCNTGA-XMMPIXPASA-N
XLogP4.65
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[3-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile?
The IUPAC name of 5-[3-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile (CID 52938929) is 5-[3-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile.
What is the SMILES notation for 5-[3-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile?
The canonical SMILES for 5-[3-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile is CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(=O)N3CCCCC3)no2)cc1C#N.
What is the InChIKey of 5-[3-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile?
The InChIKey is RYRNEHIITCNTGA-XMMPIXPASA-N. The full InChI is InChI=1S/C28H31N5O3/c1-18(2)35-25-12-9-19(15-20(25)16-29)28-31-27(32-36-28)23-8-6-7-22-21(23)10-11-24(22)30-17-26(34)33-13-4-3-5-14-33/h6-9,12,15,18,24,30H,3-5,10-11,13-14,17H2,1-2H3/t24-/m1/s1.
What are the key properties of 5-[3-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile?
5-[3-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile has a molecular weight of 485.59 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile is sourced from PubChem (CID 52938929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).