5-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-1H-pyrrole-2-carboxylic acid

C11H13N5O4 — CID 106404755

IUPAC5-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-1H-pyrrole-2-carboxylic acid
SMILESCc1cc(NC(=O)NCCc2ncon2)c(C(=O)O)[nH]1
InChIInChI=1S/C11H13N5O4/c1-6-4-7(9(14-6)10(17)18)15-11(19)12-3-2-8-13-5-20-16-8/h4-5,14H,2-3H2,1H3,(H,17,18)(H2,12,15,19)
InChIKeyNBVWPDMCKOVGQV-UHFFFAOYSA-N
MW279.26 g/mol
LogP0.77
Rot. Bonds5

About 5-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-1H-pyrrole-2-carboxylic acid

5-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-1H-pyrrole-2-carboxylic acid (PubChem CID 106404755) has the molecular formula C11H13N5O4 and a molecular weight of 279.26 g/mol. Its IUPAC name is 5-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-1H-pyrrole-2-carboxylic acid
PubChem CID106404755
Molecular FormulaC11H13N5O4
Molecular Weight279.26 g/mol
Exact Mass279.10
IUPAC Name5-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-1H-pyrrole-2-carboxylic acid
SMILESCc1cc(NC(=O)NCCc2ncon2)c(C(=O)O)[nH]1
InChIInChI=1S/C11H13N5O4/c1-6-4-7(9(14-6)10(17)18)15-11(19)12-3-2-8-13-5-20-16-8/h4-5,14H,2-3H2,1H3,(H,17,18)(H2,12,15,19)
InChIKeyNBVWPDMCKOVGQV-UHFFFAOYSA-N
XLogP0.77
TPSA133.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 50.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-1H-pyrrole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 5-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-1H-pyrrole-2-carboxylic acid (CID 106404755) is 5-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 5-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-1H-pyrrole-2-carboxylic acid is Cc1cc(NC(=O)NCCc2ncon2)c(C(=O)O)[nH]1.
What is the InChIKey of 5-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-1H-pyrrole-2-carboxylic acid?
The InChIKey is NBVWPDMCKOVGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4/c1-6-4-7(9(14-6)10(17)18)15-11(19)12-3-2-8-13-5-20-16-8/h4-5,14H,2-3H2,1H3,(H,17,18)(H2,12,15,19).
What are the key properties of 5-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-1H-pyrrole-2-carboxylic acid?
5-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-1H-pyrrole-2-carboxylic acid has a molecular weight of 279.26 g/mol, XLogP of 0.77, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 106404755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).