(5R)-5-[2-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

C25H22N6O5 — CID 58041958

IUPAC(5R)-5-[2-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCCNc1nnc(-c2ccc(C#C[C@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)cc2)o1
InChIInChI=1S/C25H22N6O5/c1-3-26-24-30-29-20(36-24)16-6-4-15(5-7-16)10-11-25(22(33)27-23(34)28-25)14-31-13-17-8-9-18(35-2)12-19(17)21(31)32/h4-9,12H,3,13-14H2,1-2H3,(H,26,30)(H2,27,28,33,34)/t25-/m1/s1
InChIKeyQIIFEWKYNUTMQJ-RUZDIDTESA-N
MW486.49 g/mol
LogP1.76
Rot. Bonds6

About (5R)-5-[2-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

(5R)-5-[2-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 58041958) has the molecular formula C25H22N6O5 and a molecular weight of 486.49 g/mol. Its IUPAC name is (5R)-5-[2-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[2-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID58041958
Molecular FormulaC25H22N6O5
Molecular Weight486.49 g/mol
Exact Mass486.17
IUPAC Name(5R)-5-[2-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCCNc1nnc(-c2ccc(C#C[C@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)cc2)o1
InChIInChI=1S/C25H22N6O5/c1-3-26-24-30-29-20(36-24)16-6-4-15(5-7-16)10-11-25(22(33)27-23(34)28-25)14-31-13-17-8-9-18(35-2)12-19(17)21(31)32/h4-9,12H,3,13-14H2,1-2H3,(H,26,30)(H2,27,28,33,34)/t25-/m1/s1
InChIKeyQIIFEWKYNUTMQJ-RUZDIDTESA-N
XLogP1.76
TPSA138.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.49
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (5R)-5-[2-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione 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 (5R)-5-[2-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[2-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 58041958) is (5R)-5-[2-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[2-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[2-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is CCNc1nnc(-c2ccc(C#C[C@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)cc2)o1.
What is the InChIKey of (5R)-5-[2-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is QIIFEWKYNUTMQJ-RUZDIDTESA-N. The full InChI is InChI=1S/C25H22N6O5/c1-3-26-24-30-29-20(36-24)16-6-4-15(5-7-16)10-11-25(22(33)27-23(34)28-25)14-31-13-17-8-9-18(35-2)12-19(17)21(31)32/h4-9,12H,3,13-14H2,1-2H3,(H,26,30)(H2,27,28,33,34)/t25-/m1/s1.
What are the key properties of (5R)-5-[2-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
(5R)-5-[2-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 486.49 g/mol, XLogP of 1.76, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 58041958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).