2-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide

C17H20FN3O3 — CID 136586050

IUPAC2-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCC[C@H]2COc2ccc(F)cc2)on1
InChIInChI=1S/C17H20FN3O3/c1-12-9-17(24-20-12)19-16(22)10-21-8-2-3-14(21)11-23-15-6-4-13(18)5-7-15/h4-7,9,14H,2-3,8,10-11H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyOWPHWVZMFRTTPF-AWEZNQCLSA-N
MW333.36 g/mol
LogP2.60
Rot. Bonds6

About 2-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide

2-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 136586050) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 2-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID136586050
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name2-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCC[C@H]2COc2ccc(F)cc2)on1
InChIInChI=1S/C17H20FN3O3/c1-12-9-17(24-20-12)19-16(22)10-21-8-2-3-14(21)11-23-15-6-4-13(18)5-7-15/h4-7,9,14H,2-3,8,10-11H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyOWPHWVZMFRTTPF-AWEZNQCLSA-N
XLogP2.60
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide with MolForge

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Related Compounds

N-(4-Ethoxyphenyl)-5-[(pyrrolidin-1-YL)methyl]-1,2-oxazole-3-carboxamide
CID 16027278
N-(3-methyl-1,2-oxazol-5-yl)-2-phenoxyacetamide
CID 14174109
2-(4-ethoxyanilino)-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 45803778
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 45803784
N-(4-ethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 47000953
N-(2-ethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 47001195
N-(2-ethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 50946185
N-(4-ethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 50947798
5-(2-{[2-(4-Fluorophenoxy)ethyl]amino}ethyl)-1-(3-isoxazolylmethyl)-2-pyrrolidinone
CID 45199413
2-[3-(4-methoxyphenyl)propyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 53521269
N-(3-(tert-butyl)isoxazol-5-yl)-1-(2-(2-fluorophenoxy)acetyl)azetidine-3-carboxamide
CID 71785341
2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 66591702

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 136586050) is 2-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide is Cc1cc(NC(=O)CN2CCC[C@H]2COc2ccc(F)cc2)on1.
What is the InChIKey of 2-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is OWPHWVZMFRTTPF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-12-9-17(24-20-12)19-16(22)10-21-8-2-3-14(21)11-23-15-6-4-13(18)5-7-15/h4-7,9,14H,2-3,8,10-11H2,1H3,(H,19,22)/t14-/m0/s1.
What are the key properties of 2-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
2-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 333.36 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 136586050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).