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

C15H13FN4O2 — CID 53138220

IUPACN-(4-fluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide
SMILESCc1nc(Cn2cccc2C(=O)Nc2ccc(F)cc2)no1
InChIInChI=1S/C15H13FN4O2/c1-10-17-14(19-22-10)9-20-8-2-3-13(20)15(21)18-12-6-4-11(16)5-7-12/h2-8H,9H2,1H3,(H,18,21)
InChIKeySULKFXVSNMHDSD-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.62
Rot. Bonds4

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

N-(4-fluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide (PubChem CID 53138220) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide
PubChem CID53138220
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC NameN-(4-fluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide
SMILESCc1nc(Cn2cccc2C(=O)Nc2ccc(F)cc2)no1
InChIInChI=1S/C15H13FN4O2/c1-10-17-14(19-22-10)9-20-8-2-3-13(20)15(21)18-12-6-4-11(16)5-7-12/h2-8H,9H2,1H3,(H,18,21)
InChIKeySULKFXVSNMHDSD-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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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide (CID 53138220) is N-(4-fluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide is Cc1nc(Cn2cccc2C(=O)Nc2ccc(F)cc2)no1.
What is the InChIKey of N-(4-fluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide?
The InChIKey is SULKFXVSNMHDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2/c1-10-17-14(19-22-10)9-20-8-2-3-13(20)15(21)18-12-6-4-11(16)5-7-12/h2-8H,9H2,1H3,(H,18,21).
What are the key properties of N-(4-fluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide?
N-(4-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-(4-fluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 53138220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).