3-cyano-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxamide

C19H22N4O2 — CID 167899463

IUPAC3-cyano-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxamide
SMILESCCc1ccc(-c2nc(CN3CCC(C#N)(C(N)=O)C3)c(C)o2)cc1
InChIInChI=1S/C19H22N4O2/c1-3-14-4-6-15(7-5-14)17-22-16(13(2)25-17)10-23-9-8-19(11-20,12-23)18(21)24/h4-7H,3,8-10,12H2,1-2H3,(H2,21,24)
InChIKeyPZUZXYLKIMJEMZ-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.41
Rot. Bonds5

About 3-cyano-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxamide

3-cyano-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxamide (PubChem CID 167899463) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-cyano-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-cyano-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxamide
PubChem CID167899463
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name3-cyano-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxamide
SMILESCCc1ccc(-c2nc(CN3CCC(C#N)(C(N)=O)C3)c(C)o2)cc1
InChIInChI=1S/C19H22N4O2/c1-3-14-4-6-15(7-5-14)17-22-16(13(2)25-17)10-23-9-8-19(11-20,12-23)18(21)24/h4-7H,3,8-10,12H2,1-2H3,(H2,21,24)
InChIKeyPZUZXYLKIMJEMZ-UHFFFAOYSA-N
XLogP2.41
TPSA96.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-cyano-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxamide (CID 167899463) is 3-cyano-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-cyano-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-cyano-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxamide is CCc1ccc(-c2nc(CN3CCC(C#N)(C(N)=O)C3)c(C)o2)cc1.
What is the InChIKey of 3-cyano-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is PZUZXYLKIMJEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-3-14-4-6-15(7-5-14)17-22-16(13(2)25-17)10-23-9-8-19(11-20,12-23)18(21)24/h4-7H,3,8-10,12H2,1-2H3,(H2,21,24).
What are the key properties of 3-cyano-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxamide?
3-cyano-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 167899463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).