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

C9H8N4O4S — CID 21296157

IUPACN'-[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]oxamide
SMILESCOc1cc(-c2csc(NC(=O)C(N)=O)n2)on1
InChIInChI=1S/C9H8N4O4S/c1-16-6-2-5(17-13-6)4-3-18-9(11-4)12-8(15)7(10)14/h2-3H,1H3,(H2,10,14)(H,11,12,15)
InChIKeyWUGHOFFTQYEPDZ-UHFFFAOYSA-N
MW268.25 g/mol
LogP0.23
Rot. Bonds3

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

N'-[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]oxamide (PubChem CID 21296157) has the molecular formula C9H8N4O4S and a molecular weight of 268.25 g/mol. Its IUPAC name is N'-[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]oxamide.

Molecular Properties

Compound NameN'-[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]oxamide
PubChem CID21296157
Molecular FormulaC9H8N4O4S
Molecular Weight268.25 g/mol
Exact Mass268.03
IUPAC NameN'-[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]oxamide
SMILESCOc1cc(-c2csc(NC(=O)C(N)=O)n2)on1
InChIInChI=1S/C9H8N4O4S/c1-16-6-2-5(17-13-6)4-3-18-9(11-4)12-8(15)7(10)14/h2-3H,1H3,(H2,10,14)(H,11,12,15)
InChIKeyWUGHOFFTQYEPDZ-UHFFFAOYSA-N
XLogP0.23
TPSA120.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'-[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]oxamide?
The IUPAC name of N'-[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]oxamide (CID 21296157) is N'-[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]oxamide.
What is the SMILES notation for N'-[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]oxamide?
The canonical SMILES for N'-[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]oxamide is COc1cc(-c2csc(NC(=O)C(N)=O)n2)on1.
What is the InChIKey of N'-[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]oxamide?
The InChIKey is WUGHOFFTQYEPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O4S/c1-16-6-2-5(17-13-6)4-3-18-9(11-4)12-8(15)7(10)14/h2-3H,1H3,(H2,10,14)(H,11,12,15).
What are the key properties of N'-[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]oxamide?
N'-[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]oxamide has a molecular weight of 268.25 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]oxamide is sourced from PubChem (CID 21296157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).