5-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-1,2-oxazole-3-carboxamide

C10H9N3O2S — CID 6875161

IUPAC5-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2cccs2)no1
InChIInChI=1S/C10H9N3O2S/c1-7-5-9(13-15-7)10(14)12-11-6-8-3-2-4-16-8/h2-6H,1H3,(H,12,14)/b11-6+
InChIKeyIZWBZDOJWQFYTC-IZZDOVSWSA-N
MW235.27 g/mol
LogP1.81
Rot. Bonds3

About 5-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-1,2-oxazole-3-carboxamide

5-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-1,2-oxazole-3-carboxamide (PubChem CID 6875161) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 5-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-1,2-oxazole-3-carboxamide
PubChem CID6875161
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name5-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2cccs2)no1
InChIInChI=1S/C10H9N3O2S/c1-7-5-9(13-15-7)10(14)12-11-6-8-3-2-4-16-8/h2-6H,1H3,(H,12,14)/b11-6+
InChIKeyIZWBZDOJWQFYTC-IZZDOVSWSA-N
XLogP1.81
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-1,2-oxazole-3-carboxamide (CID 6875161) is 5-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N/N=C/c2cccs2)no1.
What is the InChIKey of 5-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-1,2-oxazole-3-carboxamide?
The InChIKey is IZWBZDOJWQFYTC-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H9N3O2S/c1-7-5-9(13-15-7)10(14)12-11-6-8-3-2-4-16-8/h2-6H,1H3,(H,12,14)/b11-6+.
What are the key properties of 5-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-1,2-oxazole-3-carboxamide?
5-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-1,2-oxazole-3-carboxamide has a molecular weight of 235.27 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 6875161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).