(1S,2S)-4,6-dichloro-1-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol

C17H15Cl2N3O2S — CID 51940905

About (1S,2S)-4,6-dichloro-1-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol

(1S,2S)-4,6-dichloro-1-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 51940905) has the molecular formula C17H15Cl2N3O2S and a molecular weight of 396.30 g/mol. Its IUPAC name is (1S,2S)-4,6-dichloro-1-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

• Compound Name: (1S,2S)-4,6-dichloro-1-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol
• PubChem CID: 51940905
• Molecular Formula: C17H15Cl2N3O2S
• Molecular Weight: 396.30 g/mol
• Exact Mass: 395.03
• IUPAC Name: (1S,2S)-4,6-dichloro-1-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol
• SMILES: CN(Cc1nc(-c2cccs2)no1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O
• InChI: InChI=1S/C17H15Cl2N3O2S/c1-22(8-15-20-17(21-24-15)14-3-2-4-25-14)16-11-5-9(18)6-12(19)10(11)7-13(16)23/h2-6,13,16,23H,7-8H2,1H3/t13-,16-/m0/s1
• InChIKey: COAASFIYMMVKKQ-BBRMVZONSA-N
• XLogP: 4.20
• TPSA: 62.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.30
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-4,6-dichloro-1-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol?

The IUPAC name of (1S,2S)-4,6-dichloro-1-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol (CID 51940905) is (1S,2S)-4,6-dichloro-1-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol.

What is the SMILES notation for (1S,2S)-4,6-dichloro-1-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol?

The canonical SMILES for (1S,2S)-4,6-dichloro-1-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol is CN(Cc1nc(-c2cccs2)no1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O.

What is the InChIKey of (1S,2S)-4,6-dichloro-1-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol?

The InChIKey is COAASFIYMMVKKQ-BBRMVZONSA-N. The full InChI is InChI=1S/C17H15Cl2N3O2S/c1-22(8-15-20-17(21-24-15)14-3-2-4-25-14)16-11-5-9(18)6-12(19)10(11)7-13(16)23/h2-6,13,16,23H,7-8H2,1H3/t13-,16-/m0/s1.

What are the key properties of (1S,2S)-4,6-dichloro-1-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol?

(1S,2S)-4,6-dichloro-1-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 396.30 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,2S)-4,6-dichloro-1-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 51940905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).