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

C16H17F2N3O2 — CID 35244187

IUPACN-(3,4-difluorophenyl)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide
SMILESCc1cc([C@@H]2CCCN2CC(=O)Nc2ccc(F)c(F)c2)no1
InChIInChI=1S/C16H17F2N3O2/c1-10-7-14(20-23-10)15-3-2-6-21(15)9-16(22)19-11-4-5-12(17)13(18)8-11/h4-5,7-8,15H,2-3,6,9H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyXMVZQCGMZVOXPP-HNNXBMFYSA-N
MW321.33 g/mol
LogP3.04
Rot. Bonds4

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

N-(3,4-difluorophenyl)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide (PubChem CID 35244187) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide
PubChem CID35244187
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC NameN-(3,4-difluorophenyl)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide
SMILESCc1cc([C@@H]2CCCN2CC(=O)Nc2ccc(F)c(F)c2)no1
InChIInChI=1S/C16H17F2N3O2/c1-10-7-14(20-23-10)15-3-2-6-21(15)9-16(22)19-11-4-5-12(17)13(18)8-11/h4-5,7-8,15H,2-3,6,9H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyXMVZQCGMZVOXPP-HNNXBMFYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-2-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]acetamide
CID 136563671
N-(5-chloro-2-pyridinyl)-2-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]acetamide
CID 124754090
N-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propanamide
CID 124758101
N-(3,4-difluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684646
N-(3,4-difluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110428961
N-(3,4-difluorophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 42999278
(2S)-N-(4-fluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 94035214
N-[(1S)-1-(furan-2-yl)ethyl]-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide
CID 95288889
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]acetamide
CID 124751686
N-(3-chloro-4-methylphenyl)-2-[(2S)-2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide
CID 99802595
N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide
CID 30803881
2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 124839054

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide (CID 35244187) is N-(3,4-difluorophenyl)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide is Cc1cc([C@@H]2CCCN2CC(=O)Nc2ccc(F)c(F)c2)no1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is XMVZQCGMZVOXPP-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c1-10-7-14(20-23-10)15-3-2-6-21(15)9-16(22)19-11-4-5-12(17)13(18)8-11/h4-5,7-8,15H,2-3,6,9H2,1H3,(H,19,22)/t15-/m0/s1.
What are the key properties of N-(3,4-difluorophenyl)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide?
N-(3,4-difluorophenyl)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 321.33 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 35244187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).