1-methyl-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-phenylpyrrole-2-carboxamide

C14H12N4O3 — CID 146146605

IUPAC1-methyl-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-phenylpyrrole-2-carboxamide
SMILESCn1cc(-c2noc(=O)[nH]2)cc1C(=O)Nc1ccccc1
InChIInChI=1S/C14H12N4O3/c1-18-8-9(12-16-14(20)21-17-12)7-11(18)13(19)15-10-5-3-2-4-6-10/h2-8H,1H3,(H,15,19)(H,16,17,20)
InChIKeyKUVRAKICTUKOGZ-UHFFFAOYSA-N
MW284.27 g/mol
LogP1.62
Rot. Bonds3

About 1-methyl-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-phenylpyrrole-2-carboxamide

1-methyl-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-phenylpyrrole-2-carboxamide (PubChem CID 146146605) has the molecular formula C14H12N4O3 and a molecular weight of 284.27 g/mol. Its IUPAC name is 1-methyl-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-phenylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-phenylpyrrole-2-carboxamide
PubChem CID146146605
Molecular FormulaC14H12N4O3
Molecular Weight284.27 g/mol
Exact Mass284.09
IUPAC Name1-methyl-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-phenylpyrrole-2-carboxamide
SMILESCn1cc(-c2noc(=O)[nH]2)cc1C(=O)Nc1ccccc1
InChIInChI=1S/C14H12N4O3/c1-18-8-9(12-16-14(20)21-17-12)7-11(18)13(19)15-10-5-3-2-4-6-10/h2-8H,1H3,(H,15,19)(H,16,17,20)
InChIKeyKUVRAKICTUKOGZ-UHFFFAOYSA-N
XLogP1.62
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-phenylpyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-phenylpyrrole-2-carboxamide (CID 146146605) is 1-methyl-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-phenylpyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-phenylpyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-phenylpyrrole-2-carboxamide is Cn1cc(-c2noc(=O)[nH]2)cc1C(=O)Nc1ccccc1.
What is the InChIKey of 1-methyl-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-phenylpyrrole-2-carboxamide?
The InChIKey is KUVRAKICTUKOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c1-18-8-9(12-16-14(20)21-17-12)7-11(18)13(19)15-10-5-3-2-4-6-10/h2-8H,1H3,(H,15,19)(H,16,17,20).
What are the key properties of 1-methyl-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-phenylpyrrole-2-carboxamide?
1-methyl-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-phenylpyrrole-2-carboxamide has a molecular weight of 284.27 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-phenylpyrrole-2-carboxamide is sourced from PubChem (CID 146146605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).