N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-pyrrolidin-1-ylacetamide

C27H29N5O3 — CID 58344669

IUPACN-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-pyrrolidin-1-ylacetamide
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)CN3CCCC3)no2)cc1C#N
InChIInChI=1S/C27H29N5O3/c1-17(2)34-24-11-8-18(14-19(24)15-28)27-30-26(31-35-27)22-7-5-6-21-20(22)9-10-23(21)29-25(33)16-32-12-3-4-13-32/h5-8,11,14,17,23H,3-4,9-10,12-13,16H2,1-2H3,(H,29,33)/t23-/m1/s1
InChIKeyXKRPYYFQBRCVBF-HSZRJFAPSA-N
MW471.56 g/mol
LogP4.26
Rot. Bonds7

About N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-pyrrolidin-1-ylacetamide

N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-pyrrolidin-1-ylacetamide (PubChem CID 58344669) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-pyrrolidin-1-ylacetamide
PubChem CID58344669
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC NameN-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-pyrrolidin-1-ylacetamide
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)CN3CCCC3)no2)cc1C#N
InChIInChI=1S/C27H29N5O3/c1-17(2)34-24-11-8-18(14-19(24)15-28)27-30-26(31-35-27)22-7-5-6-21-20(22)9-10-23(21)29-25(33)16-32-12-3-4-13-32/h5-8,11,14,17,23H,3-4,9-10,12-13,16H2,1-2H3,(H,29,33)/t23-/m1/s1
InChIKeyXKRPYYFQBRCVBF-HSZRJFAPSA-N
XLogP4.26
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-pyrrolidin-1-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-pyrrolidin-1-ylacetamide (CID 58344669) is N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-pyrrolidin-1-ylacetamide is CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)CN3CCCC3)no2)cc1C#N.
What is the InChIKey of N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is XKRPYYFQBRCVBF-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-17(2)34-24-11-8-18(14-19(24)15-28)27-30-26(31-35-27)22-7-5-6-21-20(22)9-10-23(21)29-25(33)16-32-12-3-4-13-32/h5-8,11,14,17,23H,3-4,9-10,12-13,16H2,1-2H3,(H,29,33)/t23-/m1/s1.
What are the key properties of N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-pyrrolidin-1-ylacetamide?
N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 471.56 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 58344669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).