2-[(2R,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide

C16H17F2N3O3 — CID 129380422

IUPAC2-[(2R,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CN2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)on1
InChIInChI=1S/C16H17F2N3O3/c1-9-4-16(24-20-9)19-15(23)8-21-7-11(22)6-14(21)12-5-10(17)2-3-13(12)18/h2-5,11,14,22H,6-8H2,1H3,(H,19,23)/t11-,14+/m0/s1
InChIKeyFNRYNTOHIDMEMN-SMDDNHRTSA-N
MW337.33 g/mol
LogP2.01
Rot. Bonds4

About 2-[(2R,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide

2-[(2R,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 129380422) has the molecular formula C16H17F2N3O3 and a molecular weight of 337.33 g/mol. Its IUPAC name is 2-[(2R,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(2R,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID129380422
Molecular FormulaC16H17F2N3O3
Molecular Weight337.33 g/mol
Exact Mass337.12
IUPAC Name2-[(2R,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CN2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)on1
InChIInChI=1S/C16H17F2N3O3/c1-9-4-16(24-20-9)19-15(23)8-21-7-11(22)6-14(21)12-5-10(17)2-3-13(12)18/h2-5,11,14,22H,6-8H2,1H3,(H,19,23)/t11-,14+/m0/s1
InChIKeyFNRYNTOHIDMEMN-SMDDNHRTSA-N
XLogP2.01
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,5R)-5-(2,5-difluorophenyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
CID 129397668
(3S,5S)-5-(2,5-difluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol
CID 100657073
2-[(2R,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(2-ethoxyethyl)acetamide
CID 129380429
methyl 3-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]propanoate
CID 97240020
2-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 129480806
(3S,5R)-5-(2,5-difluorophenyl)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 129372719
2-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 136586050
5-(2,5-difluorophenyl)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidin-3-ol
CID 167918948
(3R,5S)-5-(2,5-difluorophenyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-ol
CID 98874115
(3R,5R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(2,5-difluorophenyl)pyrrolidin-3-ol
CID 129380433
2-(2,5-dimethylpiperazin-1-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 64980273
4-[[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]benzamide
CID 128975885

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-[(2R,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 129380422) is 2-[(2R,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-[(2R,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-[(2R,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide is Cc1cc(NC(=O)CN2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)on1.
What is the InChIKey of 2-[(2R,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is FNRYNTOHIDMEMN-SMDDNHRTSA-N. The full InChI is InChI=1S/C16H17F2N3O3/c1-9-4-16(24-20-9)19-15(23)8-21-7-11(22)6-14(21)12-5-10(17)2-3-13(12)18/h2-5,11,14,22H,6-8H2,1H3,(H,19,23)/t11-,14+/m0/s1.
What are the key properties of 2-[(2R,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
2-[(2R,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 337.33 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 129380422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).