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

C17H19F2N3O2 — CID 56743211

IUPACN-[1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(Cc2nc(-c3cc(F)cc(F)c3)oc2C)C1
InChIInChI=1S/C17H19F2N3O2/c1-10-16(9-22-4-3-15(8-22)20-11(2)23)21-17(24-10)12-5-13(18)7-14(19)6-12/h5-7,15H,3-4,8-9H2,1-2H3,(H,20,23)
InChIKeyJCUICXCZABZTID-UHFFFAOYSA-N
MW335.35 g/mol
LogP2.64
Rot. Bonds4

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

N-[1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]acetamide (PubChem CID 56743211) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is N-[1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]acetamide
PubChem CID56743211
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC NameN-[1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(Cc2nc(-c3cc(F)cc(F)c3)oc2C)C1
InChIInChI=1S/C17H19F2N3O2/c1-10-16(9-22-4-3-15(8-22)20-11(2)23)21-17(24-10)12-5-13(18)7-14(19)6-12/h5-7,15H,3-4,8-9H2,1-2H3,(H,20,23)
InChIKeyJCUICXCZABZTID-UHFFFAOYSA-N
XLogP2.64
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol
CID 56755911
N-[1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]acetamide
CID 56743559
4-[(3-acetamidopyrrolidin-1-yl)methyl]-2-fluorobenzoic acid
CID 106699396
[4-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 25453062
2-(3,5-difluorophenyl)-5-methyl-4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole
CID 30956715
methyl 4-[4-[[3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate
CID 45171850
(3R)-N,N-diethyl-1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 42214496
[1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 24792954
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclopentylpiperidine-4-carboxamide
CID 20859881
N-[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]acetamide
CID 99956372
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclooctylpiperidine-3-carboxamide
CID 20859982
2-(4-fluorophenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 42210352

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]acetamide (CID 56743211) is N-[1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(Cc2nc(-c3cc(F)cc(F)c3)oc2C)C1.
What is the InChIKey of N-[1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]acetamide?
The InChIKey is JCUICXCZABZTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O2/c1-10-16(9-22-4-3-15(8-22)20-11(2)23)21-17(24-10)12-5-13(18)7-14(19)6-12/h5-7,15H,3-4,8-9H2,1-2H3,(H,20,23).
What are the key properties of N-[1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]acetamide?
N-[1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]acetamide has a molecular weight of 335.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 56743211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).