[3-[3-(4-fluorophenyl)-2H-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone

C19H21FN4O2 — CID 69109071

IUPAC[3-[3-(4-fluorophenyl)-2H-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCn1cccc1C(=O)N1CCCC(C2=CN(c3ccc(F)cc3)NO2)C1
InChIInChI=1S/C19H21FN4O2/c1-22-10-3-5-17(22)19(25)23-11-2-4-14(12-23)18-13-24(21-26-18)16-8-6-15(20)7-9-16/h3,5-10,13-14,21H,2,4,11-12H2,1H3
InChIKeyFRUJAQAKQAGWMH-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.81
Rot. Bonds3

About [3-[3-(4-fluorophenyl)-2H-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone

[3-[3-(4-fluorophenyl)-2H-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 69109071) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is [3-[3-(4-fluorophenyl)-2H-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[3-[3-(4-fluorophenyl)-2H-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
PubChem CID69109071
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name[3-[3-(4-fluorophenyl)-2H-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCn1cccc1C(=O)N1CCCC(C2=CN(c3ccc(F)cc3)NO2)C1
InChIInChI=1S/C19H21FN4O2/c1-22-10-3-5-17(22)19(25)23-11-2-4-14(12-23)18-13-24(21-26-18)16-8-6-15(20)7-9-16/h3,5-10,13-14,21H,2,4,11-12H2,1H3
InChIKeyFRUJAQAKQAGWMH-UHFFFAOYSA-N
XLogP2.81
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(4-fluorophenyl)-2H-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of [3-[3-(4-fluorophenyl)-2H-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone (CID 69109071) is [3-[3-(4-fluorophenyl)-2H-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [3-[3-(4-fluorophenyl)-2H-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [3-[3-(4-fluorophenyl)-2H-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone is Cn1cccc1C(=O)N1CCCC(C2=CN(c3ccc(F)cc3)NO2)C1.
What is the InChIKey of [3-[3-(4-fluorophenyl)-2H-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The InChIKey is FRUJAQAKQAGWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-22-10-3-5-17(22)19(25)23-11-2-4-14(12-23)18-13-24(21-26-18)16-8-6-15(20)7-9-16/h3,5-10,13-14,21H,2,4,11-12H2,1H3.
What are the key properties of [3-[3-(4-fluorophenyl)-2H-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
[3-[3-(4-fluorophenyl)-2H-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 356.40 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(4-fluorophenyl)-2H-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 69109071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).