N-methyl-5-[[(1,2,5-trimethylpyrrole-3-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide

C13H17N5O3 — CID 118775635

IUPACN-methyl-5-[[(1,2,5-trimethylpyrrole-3-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(CNC(=O)c2cc(C)n(C)c2C)n1
InChIInChI=1S/C13H17N5O3/c1-7-5-9(8(2)18(7)4)12(19)15-6-10-16-11(17-21-10)13(20)14-3/h5H,6H2,1-4H3,(H,14,20)(H,15,19)
InChIKeyVPQPQNSIPAIEJL-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.31
Rot. Bonds4

About N-methyl-5-[[(1,2,5-trimethylpyrrole-3-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide

N-methyl-5-[[(1,2,5-trimethylpyrrole-3-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 118775635) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-methyl-5-[[(1,2,5-trimethylpyrrole-3-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[[(1,2,5-trimethylpyrrole-3-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID118775635
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC NameN-methyl-5-[[(1,2,5-trimethylpyrrole-3-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(CNC(=O)c2cc(C)n(C)c2C)n1
InChIInChI=1S/C13H17N5O3/c1-7-5-9(8(2)18(7)4)12(19)15-6-10-16-11(17-21-10)13(20)14-3/h5H,6H2,1-4H3,(H,14,20)(H,15,19)
InChIKeyVPQPQNSIPAIEJL-UHFFFAOYSA-N
XLogP0.31
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[(1,2,5-trimethylpyrrole-3-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-methyl-5-[[(1,2,5-trimethylpyrrole-3-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 118775635) is N-methyl-5-[[(1,2,5-trimethylpyrrole-3-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-[[(1,2,5-trimethylpyrrole-3-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-methyl-5-[[(1,2,5-trimethylpyrrole-3-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide is CNC(=O)c1noc(CNC(=O)c2cc(C)n(C)c2C)n1.
What is the InChIKey of N-methyl-5-[[(1,2,5-trimethylpyrrole-3-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is VPQPQNSIPAIEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-7-5-9(8(2)18(7)4)12(19)15-6-10-16-11(17-21-10)13(20)14-3/h5H,6H2,1-4H3,(H,14,20)(H,15,19).
What are the key properties of N-methyl-5-[[(1,2,5-trimethylpyrrole-3-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide?
N-methyl-5-[[(1,2,5-trimethylpyrrole-3-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[(1,2,5-trimethylpyrrole-3-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 118775635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).