N-(4-fluoro-2-methylphenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide

C16H15FN4O2 — CID 53114487

IUPACN-(4-fluoro-2-methylphenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
SMILESCc1nnc(-c2cccn2CC(=O)Nc2ccc(F)cc2C)o1
InChIInChI=1S/C16H15FN4O2/c1-10-8-12(17)5-6-13(10)18-15(22)9-21-7-3-4-14(21)16-20-19-11(2)23-16/h3-8H,9H2,1-2H3,(H,18,22)
InChIKeyJCBBGNAHKUGFFE-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.93
Rot. Bonds4

About N-(4-fluoro-2-methylphenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide

N-(4-fluoro-2-methylphenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide (PubChem CID 53114487) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
PubChem CID53114487
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC NameN-(4-fluoro-2-methylphenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
SMILESCc1nnc(-c2cccn2CC(=O)Nc2ccc(F)cc2C)o1
InChIInChI=1S/C16H15FN4O2/c1-10-8-12(17)5-6-13(10)18-15(22)9-21-7-3-4-14(21)16-20-19-11(2)23-16/h3-8H,9H2,1-2H3,(H,18,22)
InChIKeyJCBBGNAHKUGFFE-UHFFFAOYSA-N
XLogP2.93
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide (CID 53114487) is N-(4-fluoro-2-methylphenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide is Cc1nnc(-c2cccn2CC(=O)Nc2ccc(F)cc2C)o1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
The InChIKey is JCBBGNAHKUGFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c1-10-8-12(17)5-6-13(10)18-15(22)9-21-7-3-4-14(21)16-20-19-11(2)23-16/h3-8H,9H2,1-2H3,(H,18,22).
What are the key properties of N-(4-fluoro-2-methylphenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
N-(4-fluoro-2-methylphenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide has a molecular weight of 314.32 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 53114487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).