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

C17H19F2N3O2 — CID 95223619

IUPAC2,4-difluoro-N-[[(3S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methyl]benzamide
SMILESCc1cc(CN2CC[C@@H](CNC(=O)c3ccc(F)cc3F)C2)on1
InChIInChI=1S/C17H19F2N3O2/c1-11-6-14(24-21-11)10-22-5-4-12(9-22)8-20-17(23)15-3-2-13(18)7-16(15)19/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,20,23)/t12-/m0/s1
InChIKeyGFMAECOMYWZUGQ-LBPRGKRZSA-N
MW335.35 g/mol
LogP2.51
Rot. Bonds5

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

2,4-difluoro-N-[[(3S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methyl]benzamide (PubChem CID 95223619) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is 2,4-difluoro-N-[[(3S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[[(3S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methyl]benzamide
PubChem CID95223619
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC Name2,4-difluoro-N-[[(3S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methyl]benzamide
SMILESCc1cc(CN2CC[C@@H](CNC(=O)c3ccc(F)cc3F)C2)on1
InChIInChI=1S/C17H19F2N3O2/c1-11-6-14(24-21-11)10-22-5-4-12(9-22)8-20-17(23)15-3-2-13(18)7-16(15)19/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,20,23)/t12-/m0/s1
InChIKeyGFMAECOMYWZUGQ-LBPRGKRZSA-N
XLogP2.51
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4-difluoro-N-[[(3S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methyl]benzamide with MolForge

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Related Compounds

N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
CID 129370880
5-[[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 95313681
2-amino-4-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 63109999
N-[[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 56758529
N-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide
CID 166262029
(2,4-difluorophenyl)-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone
CID 134699567
2,4-difluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)benzamide
CID 128995704
4-fluoro-N-[[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]methyl]benzamide
CID 42348231
4-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 51093597
N-[[1-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]piperidin-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 45194598
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzamide
CID 47007650
3-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 99827620

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[[(3S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[[(3S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methyl]benzamide (CID 95223619) is 2,4-difluoro-N-[[(3S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[[(3S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[[(3S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methyl]benzamide is Cc1cc(CN2CC[C@@H](CNC(=O)c3ccc(F)cc3F)C2)on1.
What is the InChIKey of 2,4-difluoro-N-[[(3S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is GFMAECOMYWZUGQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19F2N3O2/c1-11-6-14(24-21-11)10-22-5-4-12(9-22)8-20-17(23)15-3-2-13(18)7-16(15)19/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,20,23)/t12-/m0/s1.
What are the key properties of 2,4-difluoro-N-[[(3S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methyl]benzamide?
2,4-difluoro-N-[[(3S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 335.35 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[[(3S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 95223619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).