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

C17H18N4O2 — CID 53114528

IUPACN-benzyl-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
SMILESCCc1nnc(-c2cccn2CC(=O)NCc2ccccc2)o1
InChIInChI=1S/C17H18N4O2/c1-2-16-19-20-17(23-16)14-9-6-10-21(14)12-15(22)18-11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H,18,22)
InChIKeyWMIPRGMGLPDMJR-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.42
Rot. Bonds6

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

N-benzyl-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide (PubChem CID 53114528) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-benzyl-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
PubChem CID53114528
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-benzyl-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
SMILESCCc1nnc(-c2cccn2CC(=O)NCc2ccccc2)o1
InChIInChI=1S/C17H18N4O2/c1-2-16-19-20-17(23-16)14-9-6-10-21(14)12-15(22)18-11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H,18,22)
InChIKeyWMIPRGMGLPDMJR-UHFFFAOYSA-N
XLogP2.42
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.42
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-methoxyphenyl)methyl]acetamide
CID 53114517
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)methyl]acetamide
CID 53114498
N-benzyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402920
N-[(4-methoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
CID 75527010
2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(2-phenylethyl)acetamide
CID 26842276
2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 53027972
N-benzyl-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide
CID 50837140
N-benzyl-2-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 33202572
2-[2-(1-aminoethyl)pyrrol-1-yl]-N-benzylacetamide
CID 79101821
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide
CID 91773590
N-[(2-chlorophenyl)methyl]-2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
CID 53114539

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide (CID 53114528) is N-benzyl-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide is CCc1nnc(-c2cccn2CC(=O)NCc2ccccc2)o1.
What is the InChIKey of N-benzyl-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
The InChIKey is WMIPRGMGLPDMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-2-16-19-20-17(23-16)14-9-6-10-21(14)12-15(22)18-11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H,18,22).
What are the key properties of N-benzyl-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
N-benzyl-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide has a molecular weight of 310.36 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 53114528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).