1-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide

C20H29N5O2 — CID 127249257

About 1-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide

1-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 127249257) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 1-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
• PubChem CID: 127249257
• Molecular Formula: C20H29N5O2
• Molecular Weight: 371.49 g/mol
• Exact Mass: 371.23
• IUPAC Name: 1-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
• SMILES: CCc1ncc(CN2CCC(Cc3cc(C(C)C)no3)(C(=O)NC)C2)cn1
• InChI: InChI=1S/C20H29N5O2/c1-5-18-22-10-15(11-23-18)12-25-7-6-20(13-25,19(26)21-4)9-16-8-17(14(2)3)24-27-16/h8,10-11,14H,5-7,9,12-13H2,1-4H3,(H,21,26)
• InChIKey: WWEHZBLQANXXAL-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 84.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.49
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide?

The IUPAC name of 1-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide (CID 127249257) is 1-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for 1-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide?

The canonical SMILES for 1-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide is CCc1ncc(CN2CCC(Cc3cc(C(C)C)no3)(C(=O)NC)C2)cn1.

What is the InChIKey of 1-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide?

The InChIKey is WWEHZBLQANXXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-5-18-22-10-15(11-23-18)12-25-7-6-20(13-25,19(26)21-4)9-16-8-17(14(2)3)24-27-16/h8,10-11,14H,5-7,9,12-13H2,1-4H3,(H,21,26).

What are the key properties of 1-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide?

1-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 127249257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).