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

C18H17FN4O2 — CID 53114572

IUPAC2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cccc2-c2nnc(C3CC3)o2)cc1F
InChIInChI=1S/C18H17FN4O2/c1-11-4-7-13(9-14(11)19)20-16(24)10-23-8-2-3-15(23)18-22-21-17(25-18)12-5-6-12/h2-4,7-9,12H,5-6,10H2,1H3,(H,20,24)
InChIKeyYJTLHQPHRNIWTJ-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.50
Rot. Bonds5

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

2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 53114572) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID53114572
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cccc2-c2nnc(C3CC3)o2)cc1F
InChIInChI=1S/C18H17FN4O2/c1-11-4-7-13(9-14(11)19)20-16(24)10-23-8-2-3-15(23)18-22-21-17(25-18)12-5-6-12/h2-4,7-9,12H,5-6,10H2,1H3,(H,20,24)
InChIKeyYJTLHQPHRNIWTJ-UHFFFAOYSA-N
XLogP3.50
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide (CID 53114572) is 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2cccc2-c2nnc(C3CC3)o2)cc1F.
What is the InChIKey of 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is YJTLHQPHRNIWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-11-4-7-13(9-14(11)19)20-16(24)10-23-8-2-3-15(23)18-22-21-17(25-18)12-5-6-12/h2-4,7-9,12H,5-6,10H2,1H3,(H,20,24).
What are the key properties of 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide?
2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 340.36 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 53114572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).