2-[(3-fluorophenoxy)methyl]-N-[(3R,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide

C18H22FN3O4 — CID 133131779

IUPAC2-[(3-fluorophenoxy)methyl]-N-[(3R,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
SMILESCC(C)N1C[C@@H](O)[C@H](NC(=O)c2coc(COc3cccc(F)c3)n2)C1
InChIInChI=1S/C18H22FN3O4/c1-11(2)22-7-14(16(23)8-22)21-18(24)15-9-26-17(20-15)10-25-13-5-3-4-12(19)6-13/h3-6,9,11,14,16,23H,7-8,10H2,1-2H3,(H,21,24)/t14-,16-/m1/s1
InChIKeyQUHJOTOJKQCOJX-GDBMZVCRSA-N
MW363.39 g/mol
LogP1.58
Rot. Bonds6

About 2-[(3-fluorophenoxy)methyl]-N-[(3R,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide

2-[(3-fluorophenoxy)methyl]-N-[(3R,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide (PubChem CID 133131779) has the molecular formula C18H22FN3O4 and a molecular weight of 363.39 g/mol. Its IUPAC name is 2-[(3-fluorophenoxy)methyl]-N-[(3R,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3-fluorophenoxy)methyl]-N-[(3R,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
PubChem CID133131779
Molecular FormulaC18H22FN3O4
Molecular Weight363.39 g/mol
Exact Mass363.16
IUPAC Name2-[(3-fluorophenoxy)methyl]-N-[(3R,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
SMILESCC(C)N1C[C@@H](O)[C@H](NC(=O)c2coc(COc3cccc(F)c3)n2)C1
InChIInChI=1S/C18H22FN3O4/c1-11(2)22-7-14(16(23)8-22)21-18(24)15-9-26-17(20-15)10-25-13-5-3-4-12(19)6-13/h3-6,9,11,14,16,23H,7-8,10H2,1-2H3,(H,21,24)/t14-,16-/m1/s1
InChIKeyQUHJOTOJKQCOJX-GDBMZVCRSA-N
XLogP1.58
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-fluorophenoxy)methyl]-N-[[(2S)-1-methylpiperidin-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 26411631
2-[(3-fluorophenoxy)methyl]-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 26331295
N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 56757502
2-[(3-fluorophenoxy)methyl]-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 95205239
[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone
CID 95214399
N,N-diethyl-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 26403838
N-[(1-ethylpyrazol-4-yl)methyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 42215285
[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone
CID 95189942
2-[2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 56746568
N-ethyl-N-[(3R)-1-[2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide
CID 95205357
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 26399205
1-[2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide
CID 56707588

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenoxy)methyl]-N-[(3R,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(3-fluorophenoxy)methyl]-N-[(3R,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide (CID 133131779) is 2-[(3-fluorophenoxy)methyl]-N-[(3R,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(3-fluorophenoxy)methyl]-N-[(3R,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(3-fluorophenoxy)methyl]-N-[(3R,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide is CC(C)N1C[C@@H](O)[C@H](NC(=O)c2coc(COc3cccc(F)c3)n2)C1.
What is the InChIKey of 2-[(3-fluorophenoxy)methyl]-N-[(3R,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is QUHJOTOJKQCOJX-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H22FN3O4/c1-11(2)22-7-14(16(23)8-22)21-18(24)15-9-26-17(20-15)10-25-13-5-3-4-12(19)6-13/h3-6,9,11,14,16,23H,7-8,10H2,1-2H3,(H,21,24)/t14-,16-/m1/s1.
What are the key properties of 2-[(3-fluorophenoxy)methyl]-N-[(3R,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide?
2-[(3-fluorophenoxy)methyl]-N-[(3R,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 363.39 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenoxy)methyl]-N-[(3R,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 133131779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).