2-(2-fluorophenyl)-5-[(3S)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole

C18H18FN3O2 — CID 51137659

IUPAC2-(2-fluorophenyl)-5-[(3S)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESCc1ccc(CN2CC[C@H](c3nnc(-c4ccccc4F)o3)C2)o1
InChIInChI=1S/C18H18FN3O2/c1-12-6-7-14(23-12)11-22-9-8-13(10-22)17-20-21-18(24-17)15-4-2-3-5-16(15)19/h2-7,13H,8-11H2,1H3/t13-/m0/s1
InChIKeyGFPNPMMNIAMIAN-ZDUSSCGKSA-N
MW327.36 g/mol
LogP3.77
Rot. Bonds4

About 2-(2-fluorophenyl)-5-[(3S)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole

2-(2-fluorophenyl)-5-[(3S)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole (PubChem CID 51137659) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-[(3S)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-[(3S)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
PubChem CID51137659
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name2-(2-fluorophenyl)-5-[(3S)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESCc1ccc(CN2CC[C@H](c3nnc(-c4ccccc4F)o3)C2)o1
InChIInChI=1S/C18H18FN3O2/c1-12-6-7-14(23-12)11-22-9-8-13(10-22)17-20-21-18(24-17)15-4-2-3-5-16(15)19/h2-7,13H,8-11H2,1H3/t13-/m0/s1
InChIKeyGFPNPMMNIAMIAN-ZDUSSCGKSA-N
XLogP3.77
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-[(3S)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-fluorophenyl)-5-[(3S)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole (CID 51137659) is 2-(2-fluorophenyl)-5-[(3S)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-fluorophenyl)-5-[(3S)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-fluorophenyl)-5-[(3S)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole is Cc1ccc(CN2CC[C@H](c3nnc(-c4ccccc4F)o3)C2)o1.
What is the InChIKey of 2-(2-fluorophenyl)-5-[(3S)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole?
The InChIKey is GFPNPMMNIAMIAN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-12-6-7-14(23-12)11-22-9-8-13(10-22)17-20-21-18(24-17)15-4-2-3-5-16(15)19/h2-7,13H,8-11H2,1H3/t13-/m0/s1.
What are the key properties of 2-(2-fluorophenyl)-5-[(3S)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole?
2-(2-fluorophenyl)-5-[(3S)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole has a molecular weight of 327.36 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-[(3S)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 51137659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).