5-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,2-oxazole-3-carboxamide

C13H10N4O3 — CID 16953752

IUPAC5-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nnc(-c3ccccc3)o2)no1
InChIInChI=1S/C13H10N4O3/c1-8-7-10(17-20-8)11(18)14-13-16-15-12(19-13)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,16,18)
InChIKeyMTTGOFBHBJUVFV-UHFFFAOYSA-N
MW270.25 g/mol
LogP2.29
Rot. Bonds3

About 5-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,2-oxazole-3-carboxamide

5-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 16953752) has the molecular formula C13H10N4O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 5-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID16953752
Molecular FormulaC13H10N4O3
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC Name5-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nnc(-c3ccccc3)o2)no1
InChIInChI=1S/C13H10N4O3/c1-8-7-10(17-20-8)11(18)14-13-16-15-12(19-13)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,16,18)
InChIKeyMTTGOFBHBJUVFV-UHFFFAOYSA-N
XLogP2.29
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,2-oxazole-3-carboxamide (CID 16953752) is 5-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2nnc(-c3ccccc3)o2)no1.
What is the InChIKey of 5-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is MTTGOFBHBJUVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3/c1-8-7-10(17-20-8)11(18)14-13-16-15-12(19-13)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,16,18).
What are the key properties of 5-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,2-oxazole-3-carboxamide?
5-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 270.25 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 16953752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).