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

C25H25N5O4 — CID 58344692

IUPACN-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-hydroxyazetidine-1-carboxamide
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)N3CC(O)C3)no2)cc1C#N
InChIInChI=1S/C25H25N5O4/c1-14(2)33-22-9-6-15(10-16(22)11-26)24-28-23(29-34-24)20-5-3-4-19-18(20)7-8-21(19)27-25(32)30-12-17(31)13-30/h3-6,9-10,14,17,21,31H,7-8,12-13H2,1-2H3,(H,27,32)/t21-/m1/s1
InChIKeyPKRZAGCYDFJIFC-OAQYLSRUSA-N
MW459.51 g/mol
LogP3.44
Rot. Bonds5

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

N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-hydroxyazetidine-1-carboxamide (PubChem CID 58344692) has the molecular formula C25H25N5O4 and a molecular weight of 459.51 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]-3-hydroxyazetidine-1-carboxamide.

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]-3-hydroxyazetidine-1-carboxamide
PubChem CID58344692
Molecular FormulaC25H25N5O4
Molecular Weight459.51 g/mol
Exact Mass459.19
IUPAC NameN-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-hydroxyazetidine-1-carboxamide
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)N3CC(O)C3)no2)cc1C#N
InChIInChI=1S/C25H25N5O4/c1-14(2)33-22-9-6-15(10-16(22)11-26)24-28-23(29-34-24)20-5-3-4-19-18(20)7-8-21(19)27-25(32)30-12-17(31)13-30/h3-6,9-10,14,17,21,31H,7-8,12-13H2,1-2H3,(H,27,32)/t21-/m1/s1
InChIKeyPKRZAGCYDFJIFC-OAQYLSRUSA-N
XLogP3.44
TPSA124.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 53.44
H-Bond Donors ≤ 52
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]-3-hydroxyazetidine-1-carboxamide with MolForge

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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]-3-hydroxyazetidine-1-carboxamide?
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]-3-hydroxyazetidine-1-carboxamide (CID 58344692) is N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-hydroxyazetidine-1-carboxamide.
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]-3-hydroxyazetidine-1-carboxamide?
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]-3-hydroxyazetidine-1-carboxamide is CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)N3CC(O)C3)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]-3-hydroxyazetidine-1-carboxamide?
The InChIKey is PKRZAGCYDFJIFC-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H25N5O4/c1-14(2)33-22-9-6-15(10-16(22)11-26)24-28-23(29-34-24)20-5-3-4-19-18(20)7-8-21(19)27-25(32)30-12-17(31)13-30/h3-6,9-10,14,17,21,31H,7-8,12-13H2,1-2H3,(H,27,32)/t21-/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]-3-hydroxyazetidine-1-carboxamide?
N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-hydroxyazetidine-1-carboxamide has a molecular weight of 459.51 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 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]-3-hydroxyazetidine-1-carboxamide is sourced from PubChem (CID 58344692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).