5-methyl-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-3-carboxamide

C13H13N5O3 — CID 91632238

IUPAC5-methyl-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2nc(-c3cccn3C)no2)no1
InChIInChI=1S/C13H13N5O3/c1-8-6-9(16-20-8)13(19)14-7-11-15-12(17-21-11)10-4-3-5-18(10)2/h3-6H,7H2,1-2H3,(H,14,19)
InChIKeyJPOUYBRGHWZGOD-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.30
Rot. Bonds4

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

5-methyl-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 91632238) has the molecular formula C13H13N5O3 and a molecular weight of 287.28 g/mol. Its IUPAC name is 5-methyl-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID91632238
Molecular FormulaC13H13N5O3
Molecular Weight287.28 g/mol
Exact Mass287.10
IUPAC Name5-methyl-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2nc(-c3cccn3C)no2)no1
InChIInChI=1S/C13H13N5O3/c1-8-6-9(16-20-8)13(19)14-7-11-15-12(17-21-11)10-4-3-5-18(10)2/h3-6H,7H2,1-2H3,(H,14,19)
InChIKeyJPOUYBRGHWZGOD-UHFFFAOYSA-N
XLogP1.30
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-3-carboxamide (CID 91632238) is 5-methyl-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCc2nc(-c3cccn3C)no2)no1.
What is the InChIKey of 5-methyl-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is JPOUYBRGHWZGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3/c1-8-6-9(16-20-8)13(19)14-7-11-15-12(17-21-11)10-4-3-5-18(10)2/h3-6H,7H2,1-2H3,(H,14,19).
What are the key properties of 5-methyl-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 287.28 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 91632238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).