N-[(3S,4R)-1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-propylpyrrolidin-3-yl]acetamide

C18H23FN4O2 — CID 70733335

IUPACN-[(3S,4R)-1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@@H]1CN(Cc2nnc(-c3cccc(F)c3)o2)C[C@H]1NC(C)=O
InChIInChI=1S/C18H23FN4O2/c1-3-5-14-9-23(10-16(14)20-12(2)24)11-17-21-22-18(25-17)13-6-4-7-15(19)8-13/h4,6-8,14,16H,3,5,9-11H2,1-2H3,(H,20,24)/t14-,16-/m1/s1
InChIKeyVMUYDDHUFBKBEF-GDBMZVCRSA-N
MW346.41 g/mol
LogP2.61
Rot. Bonds6

About N-[(3S,4R)-1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-propylpyrrolidin-3-yl]acetamide

N-[(3S,4R)-1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-propylpyrrolidin-3-yl]acetamide (PubChem CID 70733335) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[(3S,4R)-1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-propylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-propylpyrrolidin-3-yl]acetamide
PubChem CID70733335
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC NameN-[(3S,4R)-1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@@H]1CN(Cc2nnc(-c3cccc(F)c3)o2)C[C@H]1NC(C)=O
InChIInChI=1S/C18H23FN4O2/c1-3-5-14-9-23(10-16(14)20-12(2)24)11-17-21-22-18(25-17)13-6-4-7-15(19)8-13/h4,6-8,14,16H,3,5,9-11H2,1-2H3,(H,20,24)/t14-,16-/m1/s1
InChIKeyVMUYDDHUFBKBEF-GDBMZVCRSA-N
XLogP2.61
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-propylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-propylpyrrolidin-3-yl]acetamide (CID 70733335) is N-[(3S,4R)-1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-propylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-propylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-propylpyrrolidin-3-yl]acetamide is CCC[C@@H]1CN(Cc2nnc(-c3cccc(F)c3)o2)C[C@H]1NC(C)=O.
What is the InChIKey of N-[(3S,4R)-1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-propylpyrrolidin-3-yl]acetamide?
The InChIKey is VMUYDDHUFBKBEF-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-3-5-14-9-23(10-16(14)20-12(2)24)11-17-21-22-18(25-17)13-6-4-7-15(19)8-13/h4,6-8,14,16H,3,5,9-11H2,1-2H3,(H,20,24)/t14-,16-/m1/s1.
What are the key properties of N-[(3S,4R)-1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-propylpyrrolidin-3-yl]acetamide?
N-[(3S,4R)-1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-propylpyrrolidin-3-yl]acetamide has a molecular weight of 346.41 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-propylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 70733335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).