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

C17H18N4O2 — CID 53114498

IUPAC2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)Cn2cccc2-c2nnc(C)o2)c1
InChIInChI=1S/C17H18N4O2/c1-12-5-3-6-14(9-12)10-18-16(22)11-21-8-4-7-15(21)17-20-19-13(2)23-17/h3-9H,10-11H2,1-2H3,(H,18,22)
InChIKeyMSVGVNPZOXXAGT-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.47
Rot. Bonds5

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

2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 53114498) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(3-methylphenyl)methyl]acetamide
PubChem CID53114498
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)Cn2cccc2-c2nnc(C)o2)c1
InChIInChI=1S/C17H18N4O2/c1-12-5-3-6-14(9-12)10-18-16(22)11-21-8-4-7-15(21)17-20-19-13(2)23-17/h3-9H,10-11H2,1-2H3,(H,18,22)
InChIKeyMSVGVNPZOXXAGT-UHFFFAOYSA-N
XLogP2.47
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
CID 53114528
N-[(3-bromophenyl)methyl]-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 53028024
5-methyl-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 110392803
2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 53114517
2-fluoro-N-[(3-methylphenyl)methyl]acetamide
CID 130011767
2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 53155412
2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 53032149
N-[(4-fluorophenyl)methyl]-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 53032202
N-[(3-methylphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 110687973
N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-(3-methylphenyl)acetamide
CID 110725681
2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307
(3-methylphenyl)methylurea
CID 60776531

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)methyl]acetamide?
The IUPAC name of 2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(3-methylphenyl)methyl]acetamide (CID 53114498) is 2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(3-methylphenyl)methyl]acetamide is Cc1cccc(CNC(=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)methyl]acetamide?
The InChIKey is MSVGVNPZOXXAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12-5-3-6-14(9-12)10-18-16(22)11-21-8-4-7-15(21)17-20-19-13(2)23-17/h3-9H,10-11H2,1-2H3,(H,18,22).
What are the key properties of 2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(3-methylphenyl)methyl]acetamide?
2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 310.36 g/mol, XLogP of 2.47, 5 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)methyl]acetamide is sourced from PubChem (CID 53114498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).