[3-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone

C17H16FN5O3 — CID 91909842

IUPAC[3-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CCC(c2noc(COc3ccc(F)cc3)n2)C1
InChIInChI=1S/C17H16FN5O3/c18-12-1-3-13(4-2-12)25-10-15-20-16(22-26-15)11-6-8-23(9-11)17(24)14-5-7-19-21-14/h1-5,7,11H,6,8-10H2,(H,19,21)
InChIKeyPXRLBHDSINOMNZ-UHFFFAOYSA-N
MW357.35 g/mol
LogP2.14
Rot. Bonds5

About [3-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone

[3-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 91909842) has the molecular formula C17H16FN5O3 and a molecular weight of 357.35 g/mol. Its IUPAC name is [3-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID91909842
Molecular FormulaC17H16FN5O3
Molecular Weight357.35 g/mol
Exact Mass357.12
IUPAC Name[3-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CCC(c2noc(COc3ccc(F)cc3)n2)C1
InChIInChI=1S/C17H16FN5O3/c18-12-1-3-13(4-2-12)25-10-15-20-16(22-26-15)11-6-8-23(9-11)17(24)14-5-7-19-21-14/h1-5,7,11H,6,8-10H2,(H,19,21)
InChIKeyPXRLBHDSINOMNZ-UHFFFAOYSA-N
XLogP2.14
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [3-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 91909842) is [3-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [3-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [3-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone is O=C(c1ccn[nH]1)N1CCC(c2noc(COc3ccc(F)cc3)n2)C1.
What is the InChIKey of [3-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is PXRLBHDSINOMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O3/c18-12-1-3-13(4-2-12)25-10-15-20-16(22-26-15)11-6-8-23(9-11)17(24)14-5-7-19-21-14/h1-5,7,11H,6,8-10H2,(H,19,21).
What are the key properties of [3-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[3-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 357.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 91909842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).