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

C16H16N4O2 — CID 53114491

IUPAC2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2cccc2-c2nnc(C)o2)c1
InChIInChI=1S/C16H16N4O2/c1-11-5-3-6-13(9-11)17-15(21)10-20-8-4-7-14(20)16-19-18-12(2)22-16/h3-9H,10H2,1-2H3,(H,17,21)
InChIKeyNIHLZTCCDRHZLN-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.79
Rot. Bonds4

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

2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 53114491) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID53114491
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2cccc2-c2nnc(C)o2)c1
InChIInChI=1S/C16H16N4O2/c1-11-5-3-6-13(9-11)17-15(21)10-20-8-4-7-14(20)16-19-18-12(2)22-16/h3-9H,10H2,1-2H3,(H,17,21)
InChIKeyNIHLZTCCDRHZLN-UHFFFAOYSA-N
XLogP2.79
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 53114498
N-(3-chlorophenyl)-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
CID 53114501
N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-(3-methylphenyl)acetamide
CID 110725681
2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(4-ethylphenyl)acetamide
CID 53114515
N-(3-chlorophenyl)-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 53032158
2-(3-ethyl-2-oxoimidazol-1-yl)-N-(3-methylphenyl)acetamide
CID 116624138
2-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide
CID 53040373
2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-fluorophenyl)acetamide
CID 53155222
2-(3-chloro-2-oxopyrazin-1-yl)-N-(3-methylphenyl)acetamide
CID 114561806
2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-phenylacetamide
CID 42111225
3-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-(3-methylphenyl)propanamide
CID 131901508
N-(3-methylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 645555

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide (CID 53114491) is 2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cn2cccc2-c2nnc(C)o2)c1.
What is the InChIKey of 2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is NIHLZTCCDRHZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-11-5-3-6-13(9-11)17-15(21)10-20-8-4-7-14(20)16-19-18-12(2)22-16/h3-9H,10H2,1-2H3,(H,17,21).
What are the key properties of 2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide?
2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 296.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 53114491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).