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

C18H21FN4O2 — CID 97212373

IUPACN-cyclopropyl-2-[(2R)-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)no1)NC1CC1
InChIInChI=1S/C18H21FN4O2/c19-13-5-3-12(4-6-13)10-16-21-18(25-22-16)15-2-1-9-23(15)11-17(24)20-14-7-8-14/h3-6,14-15H,1-2,7-11H2,(H,20,24)/t15-/m1/s1
InChIKeyWJWYGUILZRUYRV-OAHLLOKOSA-N
MW344.39 g/mol
LogP2.21
Rot. Bonds6

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

N-cyclopropyl-2-[(2R)-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide (PubChem CID 97212373) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2R)-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2R)-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide
PubChem CID97212373
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC NameN-cyclopropyl-2-[(2R)-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)no1)NC1CC1
InChIInChI=1S/C18H21FN4O2/c19-13-5-3-12(4-6-13)10-16-21-18(25-22-16)15-2-1-9-23(15)11-17(24)20-14-7-8-14/h3-6,14-15H,1-2,7-11H2,(H,20,24)/t15-/m1/s1
InChIKeyWJWYGUILZRUYRV-OAHLLOKOSA-N
XLogP2.21
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2R)-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(2R)-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide (CID 97212373) is N-cyclopropyl-2-[(2R)-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(2R)-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(2R)-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide is O=C(CN1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)no1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[(2R)-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide?
The InChIKey is WJWYGUILZRUYRV-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21FN4O2/c19-13-5-3-12(4-6-13)10-16-21-18(25-22-16)15-2-1-9-23(15)11-17(24)20-14-7-8-14/h3-6,14-15H,1-2,7-11H2,(H,20,24)/t15-/m1/s1.
What are the key properties of N-cyclopropyl-2-[(2R)-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide?
N-cyclopropyl-2-[(2R)-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide has a molecular weight of 344.39 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2R)-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 97212373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).