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

C24H26N4O3 — CID 52938178

IUPAC5-[3-[1-[[(2R)-2-hydroxypropyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NC[C@@H](C)O)no2)cc1C#N
InChIInChI=1S/C24H26N4O3/c1-14(2)30-22-10-7-16(11-17(22)12-25)24-27-23(28-31-24)20-6-4-5-19-18(20)8-9-21(19)26-13-15(3)29/h4-7,10-11,14-15,21,26,29H,8-9,13H2,1-3H3/t15-,21?/m1/s1
InChIKeyFBXBFQOUAAFYCM-RBFZIWAESA-N
MW418.50 g/mol
LogP4.02
Rot. Bonds7

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

5-[3-[1-[[(2R)-2-hydroxypropyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile (PubChem CID 52938178) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 5-[3-[1-[[(2R)-2-hydroxypropyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile.

Molecular Properties

Compound Name5-[3-[1-[[(2R)-2-hydroxypropyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
PubChem CID52938178
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name5-[3-[1-[[(2R)-2-hydroxypropyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NC[C@@H](C)O)no2)cc1C#N
InChIInChI=1S/C24H26N4O3/c1-14(2)30-22-10-7-16(11-17(22)12-25)24-27-23(28-31-24)20-6-4-5-19-18(20)8-9-21(19)26-13-15(3)29/h4-7,10-11,14-15,21,26,29H,8-9,13H2,1-3H3/t15-,21?/m1/s1
InChIKeyFBXBFQOUAAFYCM-RBFZIWAESA-N
XLogP4.02
TPSA104.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[3-[1-[[(2R)-2-hydroxypropyl]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-[1-[[(2R)-2-hydroxypropyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile?
The IUPAC name of 5-[3-[1-[[(2R)-2-hydroxypropyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile (CID 52938178) is 5-[3-[1-[[(2R)-2-hydroxypropyl]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-[1-[[(2R)-2-hydroxypropyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile?
The canonical SMILES for 5-[3-[1-[[(2R)-2-hydroxypropyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile is CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NC[C@@H](C)O)no2)cc1C#N.
What is the InChIKey of 5-[3-[1-[[(2R)-2-hydroxypropyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile?
The InChIKey is FBXBFQOUAAFYCM-RBFZIWAESA-N. The full InChI is InChI=1S/C24H26N4O3/c1-14(2)30-22-10-7-16(11-17(22)12-25)24-27-23(28-31-24)20-6-4-5-19-18(20)8-9-21(19)26-13-15(3)29/h4-7,10-11,14-15,21,26,29H,8-9,13H2,1-3H3/t15-,21?/m1/s1.
What are the key properties of 5-[3-[1-[[(2R)-2-hydroxypropyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile?
5-[3-[1-[[(2R)-2-hydroxypropyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile has a molecular weight of 418.50 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[1-[[(2R)-2-hydroxypropyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile is sourced from PubChem (CID 52938178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).