N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-pyrrol-1-ylbenzamide

C17H17N3O2 — CID 110310794

IUPACN-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-pyrrol-1-ylbenzamide
SMILESCc1cc(CCNC(=O)c2ccc(-n3cccc3)cc2)no1
InChIInChI=1S/C17H17N3O2/c1-13-12-15(19-22-13)8-9-18-17(21)14-4-6-16(7-5-14)20-10-2-3-11-20/h2-7,10-12H,8-9H2,1H3,(H,18,21)
InChIKeyXZVFGYMUNYRKGA-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.75
Rot. Bonds5

About N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-pyrrol-1-ylbenzamide

N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-pyrrol-1-ylbenzamide (PubChem CID 110310794) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-pyrrol-1-ylbenzamide
PubChem CID110310794
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-pyrrol-1-ylbenzamide
SMILESCc1cc(CCNC(=O)c2ccc(-n3cccc3)cc2)no1
InChIInChI=1S/C17H17N3O2/c1-13-12-15(19-22-13)8-9-18-17(21)14-4-6-16(7-5-14)20-10-2-3-11-20/h2-7,10-12H,8-9H2,1H3,(H,18,21)
InChIKeyXZVFGYMUNYRKGA-UHFFFAOYSA-N
XLogP2.75
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 91819179
N-propyl-4-pyrrol-1-ylbenzamide
CID 24536436
3,4,5-triethoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]benzamide
CID 110293888
4-pyrrol-1-yl-N-(2-pyrrol-1-ylethyl)benzamide
CID 110742702
N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108542296
4-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-methylsulfonylbenzamide
CID 110632422
4-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide
CID 27770345
[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 108569421
N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-pyrrol-1-ylbenzamide
CID 108542314
4-phenyl-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide
CID 108538421
N-[2-(4-chlorophenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 9403209
N-[2-(4-fluorophenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 9402673

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-pyrrol-1-ylbenzamide (CID 110310794) is N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-pyrrol-1-ylbenzamide is Cc1cc(CCNC(=O)c2ccc(-n3cccc3)cc2)no1.
What is the InChIKey of N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is XZVFGYMUNYRKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-13-12-15(19-22-13)8-9-18-17(21)14-4-6-16(7-5-14)20-10-2-3-11-20/h2-7,10-12H,8-9H2,1H3,(H,18,21).
What are the key properties of N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-pyrrol-1-ylbenzamide?
N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 295.34 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 110310794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).