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

C15H16FN3O2 — CID 30578872

IUPACN-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentanecarboxamide
SMILESO=C(Nc1nnc(Cc2ccc(F)cc2)o1)C1CCCC1
InChIInChI=1S/C15H16FN3O2/c16-12-7-5-10(6-8-12)9-13-18-19-15(21-13)17-14(20)11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H,17,19,20)
InChIKeyJREFTEWKHNRQDP-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.93
Rot. Bonds4

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

N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentanecarboxamide (PubChem CID 30578872) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentanecarboxamide
PubChem CID30578872
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC NameN-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentanecarboxamide
SMILESO=C(Nc1nnc(Cc2ccc(F)cc2)o1)C1CCCC1
InChIInChI=1S/C15H16FN3O2/c16-12-7-5-10(6-8-12)9-13-18-19-15(21-13)17-14(20)11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H,17,19,20)
InChIKeyJREFTEWKHNRQDP-UHFFFAOYSA-N
XLogP2.93
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentanecarboxamide (CID 30578872) is N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentanecarboxamide is O=C(Nc1nnc(Cc2ccc(F)cc2)o1)C1CCCC1.
What is the InChIKey of N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentanecarboxamide?
The InChIKey is JREFTEWKHNRQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c16-12-7-5-10(6-8-12)9-13-18-19-15(21-13)17-14(20)11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H,17,19,20).
What are the key properties of N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentanecarboxamide?
N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentanecarboxamide has a molecular weight of 289.31 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 30578872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).