[3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

C18H17FN4O3 — CID 91915854

IUPAC[3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1CCC(Cc2noc(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C18H17FN4O3/c1-11-16(25-10-20-11)18(24)23-7-6-12(9-23)8-15-21-17(26-22-15)13-2-4-14(19)5-3-13/h2-5,10,12H,6-9H2,1H3
InChIKeyWBHGRVPDWPZUGK-UHFFFAOYSA-N
MW356.36 g/mol
LogP2.88
Rot. Bonds4

About [3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

[3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (PubChem CID 91915854) has the molecular formula C18H17FN4O3 and a molecular weight of 356.36 g/mol. Its IUPAC name is [3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
PubChem CID91915854
Molecular FormulaC18H17FN4O3
Molecular Weight356.36 g/mol
Exact Mass356.13
IUPAC Name[3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1CCC(Cc2noc(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C18H17FN4O3/c1-11-16(25-10-20-11)18(24)23-7-6-12(9-23)8-15-21-17(26-22-15)13-2-4-14(19)5-3-13/h2-5,10,12H,6-9H2,1H3
InChIKeyWBHGRVPDWPZUGK-UHFFFAOYSA-N
XLogP2.88
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (CID 91915854) is [3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is Cc1ncoc1C(=O)N1CCC(Cc2noc(-c3ccc(F)cc3)n2)C1.
What is the InChIKey of [3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The InChIKey is WBHGRVPDWPZUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3/c1-11-16(25-10-20-11)18(24)23-7-6-12(9-23)8-15-21-17(26-22-15)13-2-4-14(19)5-3-13/h2-5,10,12H,6-9H2,1H3.
What are the key properties of [3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
[3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone has a molecular weight of 356.36 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 91915854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).