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

C15H13FN4O2 — CID 53138219

IUPACN-(3-fluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide
SMILESCc1nc(Cn2cccc2C(=O)Nc2cccc(F)c2)no1
InChIInChI=1S/C15H13FN4O2/c1-10-17-14(19-22-10)9-20-7-3-6-13(20)15(21)18-12-5-2-4-11(16)8-12/h2-8H,9H2,1H3,(H,18,21)
InChIKeyUNQMZUAZOJERBJ-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.62
Rot. Bonds4

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

N-(3-fluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide (PubChem CID 53138219) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide
PubChem CID53138219
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC NameN-(3-fluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide
SMILESCc1nc(Cn2cccc2C(=O)Nc2cccc(F)c2)no1
InChIInChI=1S/C15H13FN4O2/c1-10-17-14(19-22-10)9-20-7-3-6-13(20)15(21)18-12-5-2-4-11(16)8-12/h2-8H,9H2,1H3,(H,18,21)
InChIKeyUNQMZUAZOJERBJ-UHFFFAOYSA-N
XLogP2.62
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]ethanone
CID 79107226
N-(3-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 16606648
N-(3-acetamidophenyl)-1-benzylpyrrole-2-carboxamide
CID 134022751
N-(3-fluorophenyl)-4-methyl-1,2-oxazole-3-carboxamide
CID 110862667
N-(3-methoxyphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxamide
CID 136537309
N-[4-(3-fluorophenoxy)phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 55908467
N-(3-fluorophenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259291
3-N,5-N-bis(3-fluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097363
N-(4-fluorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide
CID 106398064
3-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46482309
4-fluoro-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 103820316
2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 3094065

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide (CID 53138219) is N-(3-fluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide is Cc1nc(Cn2cccc2C(=O)Nc2cccc(F)c2)no1.
What is the InChIKey of N-(3-fluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide?
The InChIKey is UNQMZUAZOJERBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2/c1-10-17-14(19-22-10)9-20-7-3-6-13(20)15(21)18-12-5-2-4-11(16)8-12/h2-8H,9H2,1H3,(H,18,21).
What are the key properties of N-(3-fluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide?
N-(3-fluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide has a molecular weight of 300.29 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 53138219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).