(3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate

C11H11N3O4 — CID 24649039

IUPAC(3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate
SMILESCC(=O)c1c[nH]c(C(=O)OCc2nc(C)no2)c1
InChIInChI=1S/C11H11N3O4/c1-6(15)8-3-9(12-4-8)11(16)17-5-10-13-7(2)14-18-10/h3-4,12H,5H2,1-2H3
InChIKeyYUDCVANCQBOPQN-UHFFFAOYSA-N
MW249.23 g/mol
LogP1.27
Rot. Bonds4

About (3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate

(3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate (PubChem CID 24649039) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is (3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name(3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate
PubChem CID24649039
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name(3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate
SMILESCC(=O)c1c[nH]c(C(=O)OCc2nc(C)no2)c1
InChIInChI=1S/C11H11N3O4/c1-6(15)8-3-9(12-4-8)11(16)17-5-10-13-7(2)14-18-10/h3-4,12H,5H2,1-2H3
InChIKeyYUDCVANCQBOPQN-UHFFFAOYSA-N
XLogP1.27
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 4-acetyl-1H-pyrrole-2-carboxylate
CID 9385733
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-hydroxy-4-methylbenzoate
CID 31047257
(2,6-dichlorophenyl)methyl 4-acetyl-1H-pyrrole-2-carboxylate
CID 9385397
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-chloro-1H-pyrrole-2-carboxylate
CID 18100157
(5-methoxycarbonylfuran-2-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate
CID 9385786
(2-cyanophenyl)methyl 4-acetyl-1H-pyrrole-2-carboxylate
CID 9386135
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-bromo-1H-pyrrole-2-carboxylate
CID 18203731
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 1,3-benzothiazole-6-carboxylate
CID 18147223
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-amino-5-chloro-2-methoxybenzoate
CID 18147366
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-propoxybenzoate
CID 60518657
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 35834578
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 7-methoxy-2-methylquinoline-3-carboxylate
CID 18147585

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate?
The IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate (CID 24649039) is (3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate?
The canonical SMILES for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate is CC(=O)c1c[nH]c(C(=O)OCc2nc(C)no2)c1.
What is the InChIKey of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate?
The InChIKey is YUDCVANCQBOPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-6(15)8-3-9(12-4-8)11(16)17-5-10-13-7(2)14-18-10/h3-4,12H,5H2,1-2H3.
What are the key properties of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate?
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate has a molecular weight of 249.23 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 24649039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).