10-chloro-11b-(2-chlorophenyl)-3-hydroxy-3-methyl-5,7-dihydro-2H-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one

C18H16Cl2N2O3 — CID 154699623

About 10-chloro-11b-(2-chlorophenyl)-3-hydroxy-3-methyl-5,7-dihydro-2H-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one

10-chloro-11b-(2-chlorophenyl)-3-hydroxy-3-methyl-5,7-dihydro-2H-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one (PubChem CID 154699623) has the molecular formula C18H16Cl2N2O3 and a molecular weight of 379.24 g/mol. Its IUPAC name is 10-chloro-11b-(2-chlorophenyl)-3-hydroxy-3-methyl-5,7-dihydro-2H-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one.

Molecular Properties

• Compound Name: 10-chloro-11b-(2-chlorophenyl)-3-hydroxy-3-methyl-5,7-dihydro-2H-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one
• PubChem CID: 154699623
• Molecular Formula: C18H16Cl2N2O3
• Molecular Weight: 379.24 g/mol
• Exact Mass: 378.05
• IUPAC Name: 10-chloro-11b-(2-chlorophenyl)-3-hydroxy-3-methyl-5,7-dihydro-2H-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one
• SMILES: CC1(O)COC2(c3ccccc3Cl)c3cc(Cl)ccc3NC(=O)CN12
• InChI: InChI=1S/C18H16Cl2N2O3/c1-17(24)10-25-18(12-4-2-3-5-14(12)20)13-8-11(19)6-7-15(13)21-16(23)9-22(17)18/h2-8,24H,9-10H2,1H3,(H,21,23)
• InChIKey: GTJGDTCEGHHUKM-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 61.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.24
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 10-chloro-11b-(2-chlorophenyl)-3-hydroxy-3-methyl-5,7-dihydro-2H-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one?

The IUPAC name of 10-chloro-11b-(2-chlorophenyl)-3-hydroxy-3-methyl-5,7-dihydro-2H-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one (CID 154699623) is 10-chloro-11b-(2-chlorophenyl)-3-hydroxy-3-methyl-5,7-dihydro-2H-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one.

What is the SMILES notation for 10-chloro-11b-(2-chlorophenyl)-3-hydroxy-3-methyl-5,7-dihydro-2H-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one?

The canonical SMILES for 10-chloro-11b-(2-chlorophenyl)-3-hydroxy-3-methyl-5,7-dihydro-2H-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one is CC1(O)COC2(c3ccccc3Cl)c3cc(Cl)ccc3NC(=O)CN12.

What is the InChIKey of 10-chloro-11b-(2-chlorophenyl)-3-hydroxy-3-methyl-5,7-dihydro-2H-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one?

The InChIKey is GTJGDTCEGHHUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O3/c1-17(24)10-25-18(12-4-2-3-5-14(12)20)13-8-11(19)6-7-15(13)21-16(23)9-22(17)18/h2-8,24H,9-10H2,1H3,(H,21,23).

What are the key properties of 10-chloro-11b-(2-chlorophenyl)-3-hydroxy-3-methyl-5,7-dihydro-2H-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one?

10-chloro-11b-(2-chlorophenyl)-3-hydroxy-3-methyl-5,7-dihydro-2H-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one has a molecular weight of 379.24 g/mol, XLogP of 3.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-chloro-11b-(2-chlorophenyl)-3-hydroxy-3-methyl-5,7-dihydro-2H-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one is sourced from PubChem (CID 154699623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).