N-[3-[[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]-(thiophene-2-carbonyl)amino]propyl]pyrrolidine-2-carboxamide

C25H25N5O3S2 — CID 68862277

IUPACN-[3-[[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]-(thiophene-2-carbonyl)amino]propyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCCN(C(=O)c1cccs1)c1nc(-c2cc(-c3ccccc3)no2)cs1)C1CCCN1
InChIInChI=1S/C25H25N5O3S2/c31-23(18-9-4-11-26-18)27-12-6-13-30(24(32)22-10-5-14-34-22)25-28-20(16-35-25)21-15-19(29-33-21)17-7-2-1-3-8-17/h1-3,5,7-8,10,14-16,18,26H,4,6,9,11-13H2,(H,27,31)
InChIKeyWOCZLSAMNWILIG-UHFFFAOYSA-N
MW507.64 g/mol
LogP4.43
Rot. Bonds9

About N-[3-[[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]-(thiophene-2-carbonyl)amino]propyl]pyrrolidine-2-carboxamide

N-[3-[[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]-(thiophene-2-carbonyl)amino]propyl]pyrrolidine-2-carboxamide (PubChem CID 68862277) has the molecular formula C25H25N5O3S2 and a molecular weight of 507.64 g/mol. Its IUPAC name is N-[3-[[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]-(thiophene-2-carbonyl)amino]propyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]-(thiophene-2-carbonyl)amino]propyl]pyrrolidine-2-carboxamide
PubChem CID68862277
Molecular FormulaC25H25N5O3S2
Molecular Weight507.64 g/mol
Exact Mass507.14
IUPAC NameN-[3-[[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]-(thiophene-2-carbonyl)amino]propyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCCN(C(=O)c1cccs1)c1nc(-c2cc(-c3ccccc3)no2)cs1)C1CCCN1
InChIInChI=1S/C25H25N5O3S2/c31-23(18-9-4-11-26-18)27-12-6-13-30(24(32)22-10-5-14-34-22)25-28-20(16-35-25)21-15-19(29-33-21)17-7-2-1-3-8-17/h1-3,5,7-8,10,14-16,18,26H,4,6,9,11-13H2,(H,27,31)
InChIKeyWOCZLSAMNWILIG-UHFFFAOYSA-N
XLogP4.43
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.64
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[3-[[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]-(thiophene-2-carbonyl)amino]propyl]pyrrolidine-2-carboxamide 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-[3-[[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]-(thiophene-2-carbonyl)amino]propyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-[[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]-(thiophene-2-carbonyl)amino]propyl]pyrrolidine-2-carboxamide (CID 68862277) is N-[3-[[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]-(thiophene-2-carbonyl)amino]propyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-[[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]-(thiophene-2-carbonyl)amino]propyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-[[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]-(thiophene-2-carbonyl)amino]propyl]pyrrolidine-2-carboxamide is O=C(NCCCN(C(=O)c1cccs1)c1nc(-c2cc(-c3ccccc3)no2)cs1)C1CCCN1.
What is the InChIKey of N-[3-[[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]-(thiophene-2-carbonyl)amino]propyl]pyrrolidine-2-carboxamide?
The InChIKey is WOCZLSAMNWILIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3S2/c31-23(18-9-4-11-26-18)27-12-6-13-30(24(32)22-10-5-14-34-22)25-28-20(16-35-25)21-15-19(29-33-21)17-7-2-1-3-8-17/h1-3,5,7-8,10,14-16,18,26H,4,6,9,11-13H2,(H,27,31).
What are the key properties of N-[3-[[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]-(thiophene-2-carbonyl)amino]propyl]pyrrolidine-2-carboxamide?
N-[3-[[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]-(thiophene-2-carbonyl)amino]propyl]pyrrolidine-2-carboxamide has a molecular weight of 507.64 g/mol, XLogP of 4.43, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]-(thiophene-2-carbonyl)amino]propyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 68862277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).