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

C19H19N3O4S — CID 20766844

IUPACN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-(2-thiophen-2-ylpropan-2-yl)oxamide
SMILESCOc1cc(NC(=O)C(=O)NC(C)(C)c2cccs2)ccc1-c1cnco1
InChIInChI=1S/C19H19N3O4S/c1-19(2,16-5-4-8-27-16)22-18(24)17(23)21-12-6-7-13(14(9-12)25-3)15-10-20-11-26-15/h4-11H,1-3H3,(H,21,23)(H,22,24)
InChIKeyJEZBUHOIOLDEOK-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.40
Rot. Bonds5

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

N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-(2-thiophen-2-ylpropan-2-yl)oxamide (PubChem CID 20766844) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-(2-thiophen-2-ylpropan-2-yl)oxamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-(2-thiophen-2-ylpropan-2-yl)oxamide
PubChem CID20766844
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-(2-thiophen-2-ylpropan-2-yl)oxamide
SMILESCOc1cc(NC(=O)C(=O)NC(C)(C)c2cccs2)ccc1-c1cnco1
InChIInChI=1S/C19H19N3O4S/c1-19(2,16-5-4-8-27-16)22-18(24)17(23)21-12-6-7-13(14(9-12)25-3)15-10-20-11-26-15/h4-11H,1-3H3,(H,21,23)(H,22,24)
InChIKeyJEZBUHOIOLDEOK-UHFFFAOYSA-N
XLogP3.40
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.40
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-thiophen-2-ylpropan-2-yl)oxamide?
The IUPAC name of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-(2-thiophen-2-ylpropan-2-yl)oxamide (CID 20766844) is N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-(2-thiophen-2-ylpropan-2-yl)oxamide.
What is the SMILES notation for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-(2-thiophen-2-ylpropan-2-yl)oxamide?
The canonical SMILES for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-(2-thiophen-2-ylpropan-2-yl)oxamide is COc1cc(NC(=O)C(=O)NC(C)(C)c2cccs2)ccc1-c1cnco1.
What is the InChIKey of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-(2-thiophen-2-ylpropan-2-yl)oxamide?
The InChIKey is JEZBUHOIOLDEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-19(2,16-5-4-8-27-16)22-18(24)17(23)21-12-6-7-13(14(9-12)25-3)15-10-20-11-26-15/h4-11H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-(2-thiophen-2-ylpropan-2-yl)oxamide?
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-(2-thiophen-2-ylpropan-2-yl)oxamide has a molecular weight of 385.45 g/mol, XLogP of 3.40, 5 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-thiophen-2-ylpropan-2-yl)oxamide is sourced from PubChem (CID 20766844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).