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

C16H20N4O2 — CID 51137181

IUPACN-[4-[[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CC[C@H](c3nnc(C)o3)C2)cc1
InChIInChI=1S/C16H20N4O2/c1-11(21)17-15-5-3-13(4-6-15)9-20-8-7-14(10-20)16-19-18-12(2)22-16/h3-6,14H,7-10H2,1-2H3,(H,17,21)/t14-/m0/s1
InChIKeyNTNWCDWNIPWASS-AWEZNQCLSA-N
MW300.36 g/mol
LogP2.33
Rot. Bonds4

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

N-[4-[[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]phenyl]acetamide (PubChem CID 51137181) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[4-[[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]phenyl]acetamide
PubChem CID51137181
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[4-[[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CC[C@H](c3nnc(C)o3)C2)cc1
InChIInChI=1S/C16H20N4O2/c1-11(21)17-15-5-3-13(4-6-15)9-20-8-7-14(10-20)16-19-18-12(2)22-16/h3-6,14H,7-10H2,1-2H3,(H,17,21)/t14-/m0/s1
InChIKeyNTNWCDWNIPWASS-AWEZNQCLSA-N
XLogP2.33
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]phenyl]acetamide with MolForge

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Related Compounds

2-methyl-5-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 75615184
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N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride
CID 118025180
N-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 63596528
N-[4-[[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 45183025
N-[4-[[(3S,4S)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]methyl]phenyl]acetamide
CID 133133229
N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]acetamide
CID 26458271
N-[4-[[2-(1-aminoethyl)morpholin-4-yl]methyl]phenyl]acetamide
CID 115314944
2-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 75615410
N-[4-[(4-benzhydrylpiperidin-1-yl)methyl]phenyl]acetamide
CID 21424837
N-[4-[[(3S)-3-propoxypiperidin-1-yl]methyl]phenyl]acetamide
CID 95123718
N-[4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]phenyl]acetamide
CID 46089334

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]phenyl]acetamide (CID 51137181) is N-[4-[[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CC[C@H](c3nnc(C)o3)C2)cc1.
What is the InChIKey of N-[4-[[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]phenyl]acetamide?
The InChIKey is NTNWCDWNIPWASS-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11(21)17-15-5-3-13(4-6-15)9-20-8-7-14(10-20)16-19-18-12(2)22-16/h3-6,14H,7-10H2,1-2H3,(H,17,21)/t14-/m0/s1.
What are the key properties of N-[4-[[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]phenyl]acetamide?
N-[4-[[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]phenyl]acetamide has a molecular weight of 300.36 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 51137181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).