N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

C20H27N3O2 — CID 70745244

About N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 70745244) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
• PubChem CID: 70745244
• Molecular Formula: C20H27N3O2
• Molecular Weight: 341.46 g/mol
• Exact Mass: 341.21
• IUPAC Name: N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
• SMILES: Cc1ccccc1C1CCN(CCNC(=O)c2cc(C(C)C)on2)C1
• InChI: InChI=1S/C20H27N3O2/c1-14(2)19-12-18(22-25-19)20(24)21-9-11-23-10-8-16(13-23)17-7-5-4-6-15(17)3/h4-7,12,14,16H,8-11,13H2,1-3H3,(H,21,24)
• InChIKey: KNDUFQCDUITXOY-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 58.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.46
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 70745244) is N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is Cc1ccccc1C1CCN(CCNC(=O)c2cc(C(C)C)on2)C1.

What is the InChIKey of N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?

The InChIKey is KNDUFQCDUITXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14(2)19-12-18(22-25-19)20(24)21-9-11-23-10-8-16(13-23)17-7-5-4-6-15(17)3/h4-7,12,14,16H,8-11,13H2,1-3H3,(H,21,24).

What are the key properties of N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?

N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 70745244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).