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

C16H15ClN4O2 — CID 53114501

IUPACN-(3-chlorophenyl)-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
SMILESCCc1nnc(-c2cccn2CC(=O)Nc2cccc(Cl)c2)o1
InChIInChI=1S/C16H15ClN4O2/c1-2-15-19-20-16(23-15)13-7-4-8-21(13)10-14(22)18-12-6-3-5-11(17)9-12/h3-9H,2,10H2,1H3,(H,18,22)
InChIKeyQZWAWKNCWSDUKI-UHFFFAOYSA-N
MW330.78 g/mol
LogP3.39
Rot. Bonds5

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

N-(3-chlorophenyl)-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide (PubChem CID 53114501) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
PubChem CID53114501
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC NameN-(3-chlorophenyl)-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
SMILESCCc1nnc(-c2cccn2CC(=O)Nc2cccc(Cl)c2)o1
InChIInChI=1S/C16H15ClN4O2/c1-2-15-19-20-16(23-15)13-7-4-8-21(13)10-14(22)18-12-6-3-5-11(17)9-12/h3-9H,2,10H2,1H3,(H,18,22)
InChIKeyQZWAWKNCWSDUKI-UHFFFAOYSA-N
XLogP3.39
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(4-ethylphenyl)acetamide
CID 53114515
2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide
CID 53114491
N-benzyl-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
CID 53114528
N-(3-chlorophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66400972
N-(3-chlorophenyl)-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 53032158
N-(3-chlorophenyl)-2-(2-methylimidazol-1-yl)acetamide
CID 60724518
2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 53114517
N-(3-chlorophenyl)-2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
CID 26842451
2-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide
CID 53040373
N-(3-bromophenyl)-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 53006638
N-(3-chlorophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330570
N-(3-chlorophenyl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334370

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide (CID 53114501) is N-(3-chlorophenyl)-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide is CCc1nnc(-c2cccn2CC(=O)Nc2cccc(Cl)c2)o1.
What is the InChIKey of N-(3-chlorophenyl)-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
The InChIKey is QZWAWKNCWSDUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2/c1-2-15-19-20-16(23-15)13-7-4-8-21(13)10-14(22)18-12-6-3-5-11(17)9-12/h3-9H,2,10H2,1H3,(H,18,22).
What are the key properties of N-(3-chlorophenyl)-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
N-(3-chlorophenyl)-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide has a molecular weight of 330.78 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 53114501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).