N-(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide

C19H22Cl2N4O2 — CID 86947452

About N-(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide

N-(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide (PubChem CID 86947452) has the molecular formula C19H22Cl2N4O2 and a molecular weight of 409.32 g/mol. Its IUPAC name is N-(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide
• PubChem CID: 86947452
• Molecular Formula: C19H22Cl2N4O2
• Molecular Weight: 409.32 g/mol
• Exact Mass: 408.11
• IUPAC Name: N-(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide
• SMILES: Cc1cc(CN2CCN(C(=O)NC3CCc4c3ccc(Cl)c4Cl)CC2)no1
• InChI: InChI=1S/C19H22Cl2N4O2/c1-12-10-13(23-27-12)11-24-6-8-25(9-7-24)19(26)22-17-5-3-15-14(17)2-4-16(20)18(15)21/h2,4,10,17H,3,5-9,11H2,1H3,(H,22,26)
• InChIKey: PUXRZYAMSAZCRN-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 61.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.32
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide?

The IUPAC name of N-(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide (CID 86947452) is N-(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide.

What is the SMILES notation for N-(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide?

The canonical SMILES for N-(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide is Cc1cc(CN2CCN(C(=O)NC3CCc4c3ccc(Cl)c4Cl)CC2)no1.

What is the InChIKey of N-(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide?

The InChIKey is PUXRZYAMSAZCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N4O2/c1-12-10-13(23-27-12)11-24-6-8-25(9-7-24)19(26)22-17-5-3-15-14(17)2-4-16(20)18(15)21/h2,4,10,17H,3,5-9,11H2,1H3,(H,22,26).

What are the key properties of N-(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide?

N-(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide has a molecular weight of 409.32 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 86947452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).