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

C20H21N3O4S — CID 10111541

IUPACN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-(2-methyl-1-thiophen-2-ylpropan-2-yl)oxamide
SMILESCOc1cc(NC(=O)C(=O)NC(C)(C)Cc2cccs2)ccc1-c1cnco1
InChIInChI=1S/C20H21N3O4S/c1-20(2,10-14-5-4-8-28-14)23-19(25)18(24)22-13-6-7-15(16(9-13)26-3)17-11-21-12-27-17/h4-9,11-12H,10H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyWZDIRROKPILLMT-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.49
Rot. Bonds6

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

N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-(2-methyl-1-thiophen-2-ylpropan-2-yl)oxamide (PubChem CID 10111541) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-(2-methyl-1-thiophen-2-ylpropan-2-yl)oxamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-(2-methyl-1-thiophen-2-ylpropan-2-yl)oxamide
PubChem CID10111541
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-(2-methyl-1-thiophen-2-ylpropan-2-yl)oxamide
SMILESCOc1cc(NC(=O)C(=O)NC(C)(C)Cc2cccs2)ccc1-c1cnco1
InChIInChI=1S/C20H21N3O4S/c1-20(2,10-14-5-4-8-28-14)23-19(25)18(24)22-13-6-7-15(16(9-13)26-3)17-11-21-12-27-17/h4-9,11-12H,10H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyWZDIRROKPILLMT-UHFFFAOYSA-N
XLogP3.49
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-(2-methyl-1-thiophen-2-ylpropan-2-yl)oxamide?
The IUPAC name of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-(2-methyl-1-thiophen-2-ylpropan-2-yl)oxamide (CID 10111541) is N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-(2-methyl-1-thiophen-2-ylpropan-2-yl)oxamide.
What is the SMILES notation for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-(2-methyl-1-thiophen-2-ylpropan-2-yl)oxamide?
The canonical SMILES for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-(2-methyl-1-thiophen-2-ylpropan-2-yl)oxamide is COc1cc(NC(=O)C(=O)NC(C)(C)Cc2cccs2)ccc1-c1cnco1.
What is the InChIKey of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-(2-methyl-1-thiophen-2-ylpropan-2-yl)oxamide?
The InChIKey is WZDIRROKPILLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-20(2,10-14-5-4-8-28-14)23-19(25)18(24)22-13-6-7-15(16(9-13)26-3)17-11-21-12-27-17/h4-9,11-12H,10H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-(2-methyl-1-thiophen-2-ylpropan-2-yl)oxamide?
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-(2-methyl-1-thiophen-2-ylpropan-2-yl)oxamide has a molecular weight of 399.47 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 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-thiophen-2-ylpropan-2-yl)oxamide is sourced from PubChem (CID 10111541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).