N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[(2-thiophen-3-ylacetyl)amino]propan-2-yl]oxamide

C22H24N4O5S — CID 20766508

IUPACN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[(2-thiophen-3-ylacetyl)amino]propan-2-yl]oxamide
SMILESCOc1cc(NC(=O)C(=O)NC(C)(C)CNC(=O)Cc2ccsc2)ccc1-c1cnco1
InChIInChI=1S/C22H24N4O5S/c1-22(2,12-24-19(27)8-14-6-7-32-11-14)26-21(29)20(28)25-15-4-5-16(17(9-15)30-3)18-10-23-13-31-18/h4-7,9-11,13H,8,12H2,1-3H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyBAUOPPWUGZYZSW-UHFFFAOYSA-N
MW456.52 g/mol
LogP2.60
Rot. Bonds8

About N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[(2-thiophen-3-ylacetyl)amino]propan-2-yl]oxamide

N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[(2-thiophen-3-ylacetyl)amino]propan-2-yl]oxamide (PubChem CID 20766508) has the molecular formula C22H24N4O5S and a molecular weight of 456.52 g/mol. Its IUPAC name is N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[(2-thiophen-3-ylacetyl)amino]propan-2-yl]oxamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[(2-thiophen-3-ylacetyl)amino]propan-2-yl]oxamide
PubChem CID20766508
Molecular FormulaC22H24N4O5S
Molecular Weight456.52 g/mol
Exact Mass456.15
IUPAC NameN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[(2-thiophen-3-ylacetyl)amino]propan-2-yl]oxamide
SMILESCOc1cc(NC(=O)C(=O)NC(C)(C)CNC(=O)Cc2ccsc2)ccc1-c1cnco1
InChIInChI=1S/C22H24N4O5S/c1-22(2,12-24-19(27)8-14-6-7-32-11-14)26-21(29)20(28)25-15-4-5-16(17(9-15)30-3)18-10-23-13-31-18/h4-7,9-11,13H,8,12H2,1-3H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyBAUOPPWUGZYZSW-UHFFFAOYSA-N
XLogP2.60
TPSA122.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[(2-thiophen-3-ylacetyl)amino]propan-2-yl]oxamide 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-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[(2-thiophen-3-ylacetyl)amino]propan-2-yl]oxamide?
The IUPAC name of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[(2-thiophen-3-ylacetyl)amino]propan-2-yl]oxamide (CID 20766508) is N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[(2-thiophen-3-ylacetyl)amino]propan-2-yl]oxamide.
What is the SMILES notation for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[(2-thiophen-3-ylacetyl)amino]propan-2-yl]oxamide?
The canonical SMILES for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[(2-thiophen-3-ylacetyl)amino]propan-2-yl]oxamide is COc1cc(NC(=O)C(=O)NC(C)(C)CNC(=O)Cc2ccsc2)ccc1-c1cnco1.
What is the InChIKey of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[(2-thiophen-3-ylacetyl)amino]propan-2-yl]oxamide?
The InChIKey is BAUOPPWUGZYZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5S/c1-22(2,12-24-19(27)8-14-6-7-32-11-14)26-21(29)20(28)25-15-4-5-16(17(9-15)30-3)18-10-23-13-31-18/h4-7,9-11,13H,8,12H2,1-3H3,(H,24,27)(H,25,28)(H,26,29).
What are the key properties of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[(2-thiophen-3-ylacetyl)amino]propan-2-yl]oxamide?
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[(2-thiophen-3-ylacetyl)amino]propan-2-yl]oxamide has a molecular weight of 456.52 g/mol, XLogP of 2.60, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[(2-thiophen-3-ylacetyl)amino]propan-2-yl]oxamide is sourced from PubChem (CID 20766508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).