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

C16H17F2N3O2 — CID 129378868

IUPACN-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-(1,2-oxazol-3-yl)acetamide
SMILESCN1CC[C@H](NC(=O)Cc2ccon2)[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C16H17F2N3O2/c1-21-6-4-14(19-15(22)9-11-5-7-23-20-11)16(21)10-2-3-12(17)13(18)8-10/h2-3,5,7-8,14,16H,4,6,9H2,1H3,(H,19,22)/t14-,16+/m0/s1
InChIKeyFHSBKJZNUHNHFG-GOEBONIOSA-N
MW321.33 g/mol
LogP2.06
Rot. Bonds4

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

N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-(1,2-oxazol-3-yl)acetamide (PubChem CID 129378868) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-(1,2-oxazol-3-yl)acetamide
PubChem CID129378868
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC NameN-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-(1,2-oxazol-3-yl)acetamide
SMILESCN1CC[C@H](NC(=O)Cc2ccon2)[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C16H17F2N3O2/c1-21-6-4-14(19-15(22)9-11-5-7-23-20-11)16(21)10-2-3-12(17)13(18)8-10/h2-3,5,7-8,14,16H,4,6,9H2,1H3,(H,19,22)/t14-,16+/m0/s1
InChIKeyFHSBKJZNUHNHFG-GOEBONIOSA-N
XLogP2.06
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-(1,2-oxazol-3-yl)acetamide (CID 129378868) is N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-(1,2-oxazol-3-yl)acetamide is CN1CC[C@H](NC(=O)Cc2ccon2)[C@H]1c1ccc(F)c(F)c1.
What is the InChIKey of N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-(1,2-oxazol-3-yl)acetamide?
The InChIKey is FHSBKJZNUHNHFG-GOEBONIOSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c1-21-6-4-14(19-15(22)9-11-5-7-23-20-11)16(21)10-2-3-12(17)13(18)8-10/h2-3,5,7-8,14,16H,4,6,9H2,1H3,(H,19,22)/t14-,16+/m0/s1.
What are the key properties of N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-(1,2-oxazol-3-yl)acetamide?
N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-(1,2-oxazol-3-yl)acetamide has a molecular weight of 321.33 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 129378868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).