2-(4-fluorophenoxy)-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]acetamide

C26H27FN4O4 — CID 146069731

IUPAC2-(4-fluorophenoxy)-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]acetamide
SMILESO=C(COc1ccc(F)cc1)N[C@H]1C[C@H](C(=O)N2CCCC2)C[C@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C26H27FN4O4/c27-19-8-10-20(11-9-19)34-16-23(32)28-22-15-18(26(33)31-12-4-5-13-31)14-21(22)25-29-24(30-35-25)17-6-2-1-3-7-17/h1-3,6-11,18,21-22H,4-5,12-16H2,(H,28,32)/t18-,21-,22+/m1/s1
InChIKeyOYQWSUJKEMFSHP-QIJUGHKUSA-N
MW478.52 g/mol
LogP3.56
Rot. Bonds7

About 2-(4-fluorophenoxy)-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]acetamide

2-(4-fluorophenoxy)-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]acetamide (PubChem CID 146069731) has the molecular formula C26H27FN4O4 and a molecular weight of 478.52 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]acetamide
PubChem CID146069731
Molecular FormulaC26H27FN4O4
Molecular Weight478.52 g/mol
Exact Mass478.20
IUPAC Name2-(4-fluorophenoxy)-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]acetamide
SMILESO=C(COc1ccc(F)cc1)N[C@H]1C[C@H](C(=O)N2CCCC2)C[C@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C26H27FN4O4/c27-19-8-10-20(11-9-19)34-16-23(32)28-22-15-18(26(33)31-12-4-5-13-31)14-21(22)25-29-24(30-35-25)17-6-2-1-3-7-17/h1-3,6-11,18,21-22H,4-5,12-16H2,(H,28,32)/t18-,21-,22+/m1/s1
InChIKeyOYQWSUJKEMFSHP-QIJUGHKUSA-N
XLogP3.56
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]acetamide (CID 146069731) is 2-(4-fluorophenoxy)-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]acetamide is O=C(COc1ccc(F)cc1)N[C@H]1C[C@H](C(=O)N2CCCC2)C[C@H]1c1nc(-c2ccccc2)no1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]acetamide?
The InChIKey is OYQWSUJKEMFSHP-QIJUGHKUSA-N. The full InChI is InChI=1S/C26H27FN4O4/c27-19-8-10-20(11-9-19)34-16-23(32)28-22-15-18(26(33)31-12-4-5-13-31)14-21(22)25-29-24(30-35-25)17-6-2-1-3-7-17/h1-3,6-11,18,21-22H,4-5,12-16H2,(H,28,32)/t18-,21-,22+/m1/s1.
What are the key properties of 2-(4-fluorophenoxy)-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]acetamide?
2-(4-fluorophenoxy)-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]acetamide has a molecular weight of 478.52 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]acetamide is sourced from PubChem (CID 146069731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).