5-methyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,2-oxazole-3-carboxamide

C11H11N3O2S — CID 5455550

IUPAC5-methyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2sccc2C)no1
InChIInChI=1S/C11H11N3O2S/c1-7-3-4-17-10(7)6-12-13-11(15)9-5-8(2)16-14-9/h3-6H,1-2H3,(H,13,15)/b12-6+
InChIKeyQJTWICGSVOTYSP-WUXMJOGZSA-N
MW249.30 g/mol
LogP2.12
Rot. Bonds3

About 5-methyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,2-oxazole-3-carboxamide

5-methyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,2-oxazole-3-carboxamide (PubChem CID 5455550) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 5-methyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,2-oxazole-3-carboxamide
PubChem CID5455550
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name5-methyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2sccc2C)no1
InChIInChI=1S/C11H11N3O2S/c1-7-3-4-17-10(7)6-12-13-11(15)9-5-8(2)16-14-9/h3-6H,1-2H3,(H,13,15)/b12-6+
InChIKeyQJTWICGSVOTYSP-WUXMJOGZSA-N
XLogP2.12
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.12
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)-(3-methylthiophen-2-yl)methylideneamino]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,2-oxazole-3-carboxamide (CID 5455550) is 5-methyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N/N=C/c2sccc2C)no1.
What is the InChIKey of 5-methyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,2-oxazole-3-carboxamide?
The InChIKey is QJTWICGSVOTYSP-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-7-3-4-17-10(7)6-12-13-11(15)9-5-8(2)16-14-9/h3-6H,1-2H3,(H,13,15)/b12-6+.
What are the key properties of 5-methyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,2-oxazole-3-carboxamide?
5-methyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,2-oxazole-3-carboxamide has a molecular weight of 249.30 g/mol, XLogP of 2.12, 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)-(3-methylthiophen-2-yl)methylideneamino]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5455550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).