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

C19H18FN5O2 — CID 91905617

IUPACN-[(4-fluorophenyl)methyl]-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCC(c2noc(-c3ccccn3)n2)C1
InChIInChI=1S/C19H18FN5O2/c20-15-6-4-13(5-7-15)11-22-19(26)25-10-8-14(12-25)17-23-18(27-24-17)16-3-1-2-9-21-16/h1-7,9,14H,8,10-12H2,(H,22,26)
InChIKeyPAZOANIZNIMMIY-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.97
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide (PubChem CID 91905617) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
PubChem CID91905617
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCC(c2noc(-c3ccccn3)n2)C1
InChIInChI=1S/C19H18FN5O2/c20-15-6-4-13(5-7-15)11-22-19(26)25-10-8-14(12-25)17-23-18(27-24-17)16-3-1-2-9-21-16/h1-7,9,14H,8,10-12H2,(H,22,26)
InChIKeyPAZOANIZNIMMIY-UHFFFAOYSA-N
XLogP2.97
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide (CID 91905617) is N-[(4-fluorophenyl)methyl]-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide is O=C(NCc1ccc(F)cc1)N1CCC(c2noc(-c3ccccn3)n2)C1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is PAZOANIZNIMMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2/c20-15-6-4-13(5-7-15)11-22-19(26)25-10-8-14(12-25)17-23-18(27-24-17)16-3-1-2-9-21-16/h1-7,9,14H,8,10-12H2,(H,22,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide?
N-[(4-fluorophenyl)methyl]-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 91905617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).