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

C16H17F2N3O3 — CID 128978435

IUPAC2-[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CN2CC(O)CC2c2cc(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)
InChIKeyFNRYNTOHIDMEMN-UHFFFAOYSA-N
MW337.33 g/mol
LogP2.01
Rot. Bonds4

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

2-[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 128978435) has the molecular formula C16H17F2N3O3 and a molecular weight of 337.33 g/mol. Its IUPAC name is 2-[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID128978435
Molecular FormulaC16H17F2N3O3
Molecular Weight337.33 g/mol
Exact Mass337.12
IUPAC Name2-[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CN2CC(O)CC2c2cc(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)
InChIKeyFNRYNTOHIDMEMN-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 128978435) is 2-[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide is Cc1cc(NC(=O)CN2CC(O)CC2c2cc(F)ccc2F)on1.
What is the InChIKey of 2-[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is FNRYNTOHIDMEMN-UHFFFAOYSA-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).
What are the key properties of 2-[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
2-[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-[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 128978435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).