ethyl 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrole-2-carboxylate

C13H17N3O3 — CID 105421775

IUPACethyl 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrole-2-carboxylate
SMILESCCOC(=O)c1c(C)ccn1Cc1nc(CC)no1
InChIInChI=1S/C13H17N3O3/c1-4-10-14-11(19-15-10)8-16-7-6-9(3)12(16)13(17)18-5-2/h6-7H,4-5,8H2,1-3H3
InChIKeyUYTWVCOOFILMNG-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.97
Rot. Bonds5

About ethyl 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrole-2-carboxylate

ethyl 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrole-2-carboxylate (PubChem CID 105421775) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is ethyl 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrole-2-carboxylate
PubChem CID105421775
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Nameethyl 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrole-2-carboxylate
SMILESCCOC(=O)c1c(C)ccn1Cc1nc(CC)no1
InChIInChI=1S/C13H17N3O3/c1-4-10-14-11(19-15-10)8-16-7-6-9(3)12(16)13(17)18-5-2/h6-7H,4-5,8H2,1-3H3
InChIKeyUYTWVCOOFILMNG-UHFFFAOYSA-N
XLogP1.97
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrole-2-carboxylate
CID 105421740
ethyl 3-methyl-1-(1,2-oxazol-5-ylmethyl)pyrrole-2-carboxylate
CID 105421696
ethyl 1-[(1,3-diethylpyrazol-5-yl)methyl]-3-methylpyrrole-2-carboxylate
CID 105421707
1-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-one
CID 116624283
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic acid
CID 63749652
[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methanamine
CID 66408823
ethyl 1-[(5-fluoro-2-methylphenyl)methyl]-3-methylpyrrole-2-carboxylate
CID 105421801
ethyl 1-(2-chloroprop-2-enyl)-3-methylpyrrole-2-carboxylate
CID 105421842
5-[(4-ethoxyindol-1-yl)methyl]-3-ethyl-1,2,4-oxadiazole
CID 83174607
ethyl 3-methyl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrole-2-carboxylate
CID 105421687
ethyl 1-[(3-fluorophenyl)methyl]-3-methylpyrrole-2-carboxylate
CID 105421652
ethyl 1-(2,3-dihydroxypropyl)-3-methylpyrrole-2-carboxylate
CID 105421719

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrole-2-carboxylate?
The IUPAC name of ethyl 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrole-2-carboxylate (CID 105421775) is ethyl 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrole-2-carboxylate?
The canonical SMILES for ethyl 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrole-2-carboxylate is CCOC(=O)c1c(C)ccn1Cc1nc(CC)no1.
What is the InChIKey of ethyl 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrole-2-carboxylate?
The InChIKey is UYTWVCOOFILMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-4-10-14-11(19-15-10)8-16-7-6-9(3)12(16)13(17)18-5-2/h6-7H,4-5,8H2,1-3H3.
What are the key properties of ethyl 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrole-2-carboxylate?
ethyl 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrole-2-carboxylate has a molecular weight of 263.30 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrole-2-carboxylate is sourced from PubChem (CID 105421775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).