(10R)-22-methoxy-14-(1,2-oxazole-5-carbonyl)-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione

C30H33N7O6 — CID 155915599

About (10R)-22-methoxy-14-(1,2-oxazole-5-carbonyl)-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione

(10R)-22-methoxy-14-(1,2-oxazole-5-carbonyl)-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione (PubChem CID 155915599) has the molecular formula C30H33N7O6 and a molecular weight of 587.64 g/mol. Its IUPAC name is (10R)-22-methoxy-14-(1,2-oxazole-5-carbonyl)-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione.

Molecular Properties

• Compound Name: (10R)-22-methoxy-14-(1,2-oxazole-5-carbonyl)-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione
• PubChem CID: 155915599
• Molecular Formula: C30H33N7O6
• Molecular Weight: 587.64 g/mol
• Exact Mass: 587.25
• IUPAC Name: (10R)-22-methoxy-14-(1,2-oxazole-5-carbonyl)-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione
• SMILES: COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C(C)C)NC(=O)CN(C(=O)c1ccno1)CCNC2=O
• InChI: InChI=1S/C30H33N7O6/c1-19(2)26-28-34-27(20-7-5-4-6-8-20)35-37(28)15-16-42-24-17-21(9-10-22(24)41-3)29(39)31-13-14-36(18-25(38)33-26)30(40)23-11-12-32-43-23/h4-12,17,19,26H,13-16,18H2,1-3H3,(H,31,39)(H,33,38)/t26-/m1/s1
• InChIKey: BGGZOOGECBMLSU-AREMUKBSSA-N
• XLogP: 2.72
• TPSA: 153.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	587.64
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (10R)-22-methoxy-14-(1,2-oxazole-5-carbonyl)-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione?

The IUPAC name of (10R)-22-methoxy-14-(1,2-oxazole-5-carbonyl)-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione (CID 155915599) is (10R)-22-methoxy-14-(1,2-oxazole-5-carbonyl)-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione.

What is the SMILES notation for (10R)-22-methoxy-14-(1,2-oxazole-5-carbonyl)-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione?

The canonical SMILES for (10R)-22-methoxy-14-(1,2-oxazole-5-carbonyl)-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione is COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C(C)C)NC(=O)CN(C(=O)c1ccno1)CCNC2=O.

What is the InChIKey of (10R)-22-methoxy-14-(1,2-oxazole-5-carbonyl)-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione?

The InChIKey is BGGZOOGECBMLSU-AREMUKBSSA-N. The full InChI is InChI=1S/C30H33N7O6/c1-19(2)26-28-34-27(20-7-5-4-6-8-20)35-37(28)15-16-42-24-17-21(9-10-22(24)41-3)29(39)31-13-14-36(18-25(38)33-26)30(40)23-11-12-32-43-23/h4-12,17,19,26H,13-16,18H2,1-3H3,(H,31,39)(H,33,38)/t26-/m1/s1.

What are the key properties of (10R)-22-methoxy-14-(1,2-oxazole-5-carbonyl)-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione?

(10R)-22-methoxy-14-(1,2-oxazole-5-carbonyl)-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione has a molecular weight of 587.64 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (10R)-22-methoxy-14-(1,2-oxazole-5-carbonyl)-7-phenyl-10-propan-2-yl-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione is sourced from PubChem (CID 155915599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).