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

C21H24N4O2 — CID 17441509

IUPACN-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
SMILESCc1ccc(-c2cc(NC(=O)CN3CCCC3c3cccn3C)on2)cc1
InChIInChI=1S/C21H24N4O2/c1-15-7-9-16(10-8-15)17-13-21(27-23-17)22-20(26)14-25-12-4-6-19(25)18-5-3-11-24(18)2/h3,5,7-11,13,19H,4,6,12,14H2,1-2H3,(H,22,26)
InChIKeyLZBDOLGHMZDYDT-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.76
Rot. Bonds5

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

N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide (PubChem CID 17441509) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
PubChem CID17441509
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
SMILESCc1ccc(-c2cc(NC(=O)CN3CCCC3c3cccn3C)on2)cc1
InChIInChI=1S/C21H24N4O2/c1-15-7-9-16(10-8-15)17-13-21(27-23-17)22-20(26)14-25-12-4-6-19(25)18-5-3-11-24(18)2/h3,5,7-11,13,19H,4,6,12,14H2,1-2H3,(H,22,26)
InChIKeyLZBDOLGHMZDYDT-UHFFFAOYSA-N
XLogP3.76
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 9346121
N-(5-methyl-1,2-oxazol-3-yl)-3-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide
CID 47011082
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 9361796
ethyl (3S)-1-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxylate
CID 9346811
2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide
CID 8976439
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
CID 9346296
2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 124818050
N-(3-cyanophenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8972880
N-(2-bromophenyl)-2-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide
CID 8976052
2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 7775025
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8975070
N-(4-ethoxyphenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8973188

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide (CID 17441509) is N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide is Cc1ccc(-c2cc(NC(=O)CN3CCCC3c3cccn3C)on2)cc1.
What is the InChIKey of N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is LZBDOLGHMZDYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15-7-9-16(10-8-15)17-13-21(27-23-17)22-20(26)14-25-12-4-6-19(25)18-5-3-11-24(18)2/h3,5,7-11,13,19H,4,6,12,14H2,1-2H3,(H,22,26).
What are the key properties of N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide?
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 364.45 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 17441509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).