[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxo-2-[(3R)-pyrrolidin-3-yl]propyl] 9-hydroxyfluorene-9-carboxylate

C25H25N3O5 — CID 69356259

IUPAC[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxo-2-[(3R)-pyrrolidin-3-yl]propyl] 9-hydroxyfluorene-9-carboxylate
SMILESCc1cc(NC(=O)C(COC(=O)C2(O)c3ccccc3-c3ccccc32)[C@H]2CCNC2)no1
InChIInChI=1S/C25H25N3O5/c1-15-12-22(28-33-15)27-23(29)19(16-10-11-26-13-16)14-32-24(30)25(31)20-8-4-2-6-17(20)18-7-3-5-9-21(18)25/h2-9,12,16,19,26,31H,10-11,13-14H2,1H3,(H,27,28,29)/t16-,19?/m0/s1
InChIKeyJGKPMUOBBMDQCO-UCFFOFKASA-N
MW447.49 g/mol
LogP2.61
Rot. Bonds6

About [3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxo-2-[(3R)-pyrrolidin-3-yl]propyl] 9-hydroxyfluorene-9-carboxylate

[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxo-2-[(3R)-pyrrolidin-3-yl]propyl] 9-hydroxyfluorene-9-carboxylate (PubChem CID 69356259) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is [3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxo-2-[(3R)-pyrrolidin-3-yl]propyl] 9-hydroxyfluorene-9-carboxylate.

Molecular Properties

Compound Name[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxo-2-[(3R)-pyrrolidin-3-yl]propyl] 9-hydroxyfluorene-9-carboxylate
PubChem CID69356259
Molecular FormulaC25H25N3O5
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC Name[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxo-2-[(3R)-pyrrolidin-3-yl]propyl] 9-hydroxyfluorene-9-carboxylate
SMILESCc1cc(NC(=O)C(COC(=O)C2(O)c3ccccc3-c3ccccc32)[C@H]2CCNC2)no1
InChIInChI=1S/C25H25N3O5/c1-15-12-22(28-33-15)27-23(29)19(16-10-11-26-13-16)14-32-24(30)25(31)20-8-4-2-6-17(20)18-7-3-5-9-21(18)25/h2-9,12,16,19,26,31H,10-11,13-14H2,1H3,(H,27,28,29)/t16-,19?/m0/s1
InChIKeyJGKPMUOBBMDQCO-UCFFOFKASA-N
XLogP2.61
TPSA113.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxo-2-[(3R)-pyrrolidin-3-yl]propyl] 9-hydroxyfluorene-9-carboxylate 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 [3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxo-2-[(3R)-pyrrolidin-3-yl]propyl] 9-hydroxyfluorene-9-carboxylate?
The IUPAC name of [3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxo-2-[(3R)-pyrrolidin-3-yl]propyl] 9-hydroxyfluorene-9-carboxylate (CID 69356259) is [3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxo-2-[(3R)-pyrrolidin-3-yl]propyl] 9-hydroxyfluorene-9-carboxylate.
What is the SMILES notation for [3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxo-2-[(3R)-pyrrolidin-3-yl]propyl] 9-hydroxyfluorene-9-carboxylate?
The canonical SMILES for [3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxo-2-[(3R)-pyrrolidin-3-yl]propyl] 9-hydroxyfluorene-9-carboxylate is Cc1cc(NC(=O)C(COC(=O)C2(O)c3ccccc3-c3ccccc32)[C@H]2CCNC2)no1.
What is the InChIKey of [3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxo-2-[(3R)-pyrrolidin-3-yl]propyl] 9-hydroxyfluorene-9-carboxylate?
The InChIKey is JGKPMUOBBMDQCO-UCFFOFKASA-N. The full InChI is InChI=1S/C25H25N3O5/c1-15-12-22(28-33-15)27-23(29)19(16-10-11-26-13-16)14-32-24(30)25(31)20-8-4-2-6-17(20)18-7-3-5-9-21(18)25/h2-9,12,16,19,26,31H,10-11,13-14H2,1H3,(H,27,28,29)/t16-,19?/m0/s1.
What are the key properties of [3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxo-2-[(3R)-pyrrolidin-3-yl]propyl] 9-hydroxyfluorene-9-carboxylate?
[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxo-2-[(3R)-pyrrolidin-3-yl]propyl] 9-hydroxyfluorene-9-carboxylate has a molecular weight of 447.49 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxo-2-[(3R)-pyrrolidin-3-yl]propyl] 9-hydroxyfluorene-9-carboxylate is sourced from PubChem (CID 69356259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).