5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(2-oxopropyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

C15H21N3O3 — CID 160897490

About 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(2-oxopropyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(2-oxopropyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 160897490) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(2-oxopropyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(2-oxopropyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
• PubChem CID: 160897490
• Molecular Formula: C15H21N3O3
• Molecular Weight: 291.35 g/mol
• Exact Mass: 291.16
• IUPAC Name: 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(2-oxopropyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
• SMILES: CC(=O)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C3CC3)on2)C1
• InChI: InChI=1S/C15H21N3O3/c1-9-6-18(7-10(2)19)8-13(9)16-15(20)12-5-14(21-17-12)11-3-4-11/h5,9,11,13H,3-4,6-8H2,1-2H3,(H,16,20)/t9-,13-/m1/s1
• InChIKey: HTSHINWXKYYNJY-NOZJJQNGSA-N
• XLogP: 1.19
• TPSA: 75.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	291.35
LogP ≤ 5	1.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(2-oxopropyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(2-oxopropyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (CID 160897490) is 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(2-oxopropyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(2-oxopropyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(2-oxopropyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is CC(=O)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C3CC3)on2)C1.

What is the InChIKey of 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(2-oxopropyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?

The InChIKey is HTSHINWXKYYNJY-NOZJJQNGSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-9-6-18(7-10(2)19)8-13(9)16-15(20)12-5-14(21-17-12)11-3-4-11/h5,9,11,13H,3-4,6-8H2,1-2H3,(H,16,20)/t9-,13-/m1/s1.

What are the key properties of 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(2-oxopropyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?

5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(2-oxopropyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(2-oxopropyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 160897490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).