2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide

C15H17FN4O3 — CID 120835113

IUPAC2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cc1noc([C@H]2C[C@H](F)CN2)n1
InChIInChI=1S/C15H17FN4O3/c1-22-12-5-3-2-4-10(12)18-14(21)7-13-19-15(23-20-13)11-6-9(16)8-17-11/h2-5,9,11,17H,6-8H2,1H3,(H,18,21)/t9-,11+/m0/s1
InChIKeyHYRNLFDWMCMRCK-GXSJLCMTSA-N
MW320.32 g/mol
LogP1.63
Rot. Bonds5

About 2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide

2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 120835113) has the molecular formula C15H17FN4O3 and a molecular weight of 320.32 g/mol. Its IUPAC name is 2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID120835113
Molecular FormulaC15H17FN4O3
Molecular Weight320.32 g/mol
Exact Mass320.13
IUPAC Name2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cc1noc([C@H]2C[C@H](F)CN2)n1
InChIInChI=1S/C15H17FN4O3/c1-22-12-5-3-2-4-10(12)18-14(21)7-13-19-15(23-20-13)11-6-9(16)8-17-11/h2-5,9,11,17H,6-8H2,1H3,(H,18,21)/t9-,11+/m0/s1
InChIKeyHYRNLFDWMCMRCK-GXSJLCMTSA-N
XLogP1.63
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-2-[5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]acetamide
CID 120835117
N-(2-methoxyphenyl)-2-[5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]acetamide;hydrochloride
CID 120835126
5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 120835468
2-[5-(2-amino-2-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 120835109
2-[5-(azepan-1-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 27100650
2-(4,6-dichloro-1,3,5-triazin-2-yl)-N-(2-methoxyphenyl)acetamide
CID 3618480
[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 2-methylbutanoate
CID 46519923
N-(2-ethoxyphenyl)-2-[5-(4,5,6,7-tetrahydro-2H-benzotriazol-4-yl)-1,2,4-oxadiazol-3-yl]acetamide
CID 154784542
2-[5-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 2497203
N-(2-methoxyphenyl)-2-[5-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 51924806
2-[5-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 16587947
[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 1H-indole-3-carboxylate
CID 27535184

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide (CID 120835113) is 2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)Cc1noc([C@H]2C[C@H](F)CN2)n1.
What is the InChIKey of 2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is HYRNLFDWMCMRCK-GXSJLCMTSA-N. The full InChI is InChI=1S/C15H17FN4O3/c1-22-12-5-3-2-4-10(12)18-14(21)7-13-19-15(23-20-13)11-6-9(16)8-17-11/h2-5,9,11,17H,6-8H2,1H3,(H,18,21)/t9-,11+/m0/s1.
What are the key properties of 2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide?
2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 320.32 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 120835113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).