(3-cyclopropyl-1,2-oxazol-5-yl)-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone

C20H29N5O2 — CID 97191970

About (3-cyclopropyl-1,2-oxazol-5-yl)-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone

(3-cyclopropyl-1,2-oxazol-5-yl)-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 97191970) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is (3-cyclopropyl-1,2-oxazol-5-yl)-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (3-cyclopropyl-1,2-oxazol-5-yl)-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 97191970
• Molecular Formula: C20H29N5O2
• Molecular Weight: 371.49 g/mol
• Exact Mass: 371.23
• IUPAC Name: (3-cyclopropyl-1,2-oxazol-5-yl)-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone
• SMILES: CN(C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2cc(C3CC3)no2)C1
• InChI: InChI=1S/C20H29N5O2/c1-23(2)9-4-11-24-12-8-21-19(24)16-5-3-10-25(14-16)20(26)18-13-17(22-27-18)15-6-7-15/h8,12-13,15-16H,3-7,9-11,14H2,1-2H3/t16-/m0/s1
• InChIKey: LLERKVYUEXZZIP-INIZCTEOSA-N
• XLogP: 2.72
• TPSA: 67.40 Ų
• 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	2.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-1,2-oxazol-5-yl)-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone?

The IUPAC name of (3-cyclopropyl-1,2-oxazol-5-yl)-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone (CID 97191970) is (3-cyclopropyl-1,2-oxazol-5-yl)-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (3-cyclopropyl-1,2-oxazol-5-yl)-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for (3-cyclopropyl-1,2-oxazol-5-yl)-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone is CN(C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2cc(C3CC3)no2)C1.

What is the InChIKey of (3-cyclopropyl-1,2-oxazol-5-yl)-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone?

The InChIKey is LLERKVYUEXZZIP-INIZCTEOSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-23(2)9-4-11-24-12-8-21-19(24)16-5-3-10-25(14-16)20(26)18-13-17(22-27-18)15-6-7-15/h8,12-13,15-16H,3-7,9-11,14H2,1-2H3/t16-/m0/s1.

What are the key properties of (3-cyclopropyl-1,2-oxazol-5-yl)-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone?

(3-cyclopropyl-1,2-oxazol-5-yl)-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 371.49 g/mol, XLogP of 2.72, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3-cyclopropyl-1,2-oxazol-5-yl)-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 97191970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).