N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2-(3-methylphenyl)acetamide

C17H21FN4O2 — CID 128990795

IUPACN-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NC[C@@H]2C[C@H](F)CN2c2nnc(C)o2)c1
InChIInChI=1S/C17H21FN4O2/c1-11-4-3-5-13(6-11)7-16(23)19-9-15-8-14(18)10-22(15)17-21-20-12(2)24-17/h3-6,14-15H,7-10H2,1-2H3,(H,19,23)/t14-,15-/m0/s1
InChIKeyPXFNAWWBMOXEAH-GJZGRUSLSA-N
MW332.38 g/mol
LogP1.96
Rot. Bonds5

About N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2-(3-methylphenyl)acetamide

N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2-(3-methylphenyl)acetamide (PubChem CID 128990795) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2-(3-methylphenyl)acetamide
PubChem CID128990795
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC NameN-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NC[C@@H]2C[C@H](F)CN2c2nnc(C)o2)c1
InChIInChI=1S/C17H21FN4O2/c1-11-4-3-5-13(6-11)7-16(23)19-9-15-8-14(18)10-22(15)17-21-20-12(2)24-17/h3-6,14-15H,7-10H2,1-2H3,(H,19,23)/t14-,15-/m0/s1
InChIKeyPXFNAWWBMOXEAH-GJZGRUSLSA-N
XLogP1.96
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110665106
N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-2-(3-methylphenyl)acetamide
CID 91920322
5-methyl-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 110392803
N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(3-methylphenyl)acetamide
CID 40895927
2-(3-methylphenyl)-N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 40897451
2-[[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl-methylamino]methyl]-6-methylpyridin-3-ol
CID 128990716
2-(3-methylphenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 86263544
N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-(3-methylphenyl)acetamide
CID 110725681
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(3-methylphenyl)propanamide
CID 110719902
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(3-methylphenyl)acetamide
CID 110660404
N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 128991099
2-(3-methylphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16896062

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2-(3-methylphenyl)acetamide (CID 128990795) is N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NC[C@@H]2C[C@H](F)CN2c2nnc(C)o2)c1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2-(3-methylphenyl)acetamide?
The InChIKey is PXFNAWWBMOXEAH-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-11-4-3-5-13(6-11)7-16(23)19-9-15-8-14(18)10-22(15)17-21-20-12(2)24-17/h3-6,14-15H,7-10H2,1-2H3,(H,19,23)/t14-,15-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2-(3-methylphenyl)acetamide?
N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2-(3-methylphenyl)acetamide has a molecular weight of 332.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 128990795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).