N-[2-[(11R)-20-methoxy-10,13-dioxo-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-15-yl]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

C27H34N8O7 — CID 135105950

About N-[2-[(11R)-20-methoxy-10,13-dioxo-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-15-yl]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

N-[2-[(11R)-20-methoxy-10,13-dioxo-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-15-yl]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 135105950) has the molecular formula C27H34N8O7 and a molecular weight of 582.62 g/mol. Its IUPAC name is N-[2-[(11R)-20-methoxy-10,13-dioxo-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-15-yl]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(11R)-20-methoxy-10,13-dioxo-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-15-yl]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
• PubChem CID: 135105950
• Molecular Formula: C27H34N8O7
• Molecular Weight: 582.62 g/mol
• Exact Mass: 582.26
• IUPAC Name: N-[2-[(11R)-20-methoxy-10,13-dioxo-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-15-yl]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
• SMILES: COc1ccc2cc1OCCN(C(=O)CNC(=O)c1nonc1C)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2
• InChI: InChI=1S/C27H34N8O7/c1-16(2)23-26(38)29-8-10-34-9-7-28-25(34)18-5-6-19(40-4)20(13-18)41-12-11-35(15-21(36)31-23)22(37)14-30-27(39)24-17(3)32-42-33-24/h5-7,9,13,16,23H,8,10-12,14-15H2,1-4H3,(H,29,38)(H,30,39)(H,31,36)/t23-/m1/s1
• InChIKey: ILNLQAHAGCHYBH-HSZRJFAPSA-N
• XLogP: 0.16
• TPSA: 182.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.62
LogP ≤ 5	0.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[2-[(11R)-20-methoxy-10,13-dioxo-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-15-yl]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

The IUPAC name of N-[2-[(11R)-20-methoxy-10,13-dioxo-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-15-yl]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 135105950) is N-[2-[(11R)-20-methoxy-10,13-dioxo-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-15-yl]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

What is the SMILES notation for N-[2-[(11R)-20-methoxy-10,13-dioxo-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-15-yl]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

The canonical SMILES for N-[2-[(11R)-20-methoxy-10,13-dioxo-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-15-yl]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is COc1ccc2cc1OCCN(C(=O)CNC(=O)c1nonc1C)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2.

What is the InChIKey of N-[2-[(11R)-20-methoxy-10,13-dioxo-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-15-yl]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

The InChIKey is ILNLQAHAGCHYBH-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H34N8O7/c1-16(2)23-26(38)29-8-10-34-9-7-28-25(34)18-5-6-19(40-4)20(13-18)41-12-11-35(15-21(36)31-23)22(37)14-30-27(39)24-17(3)32-42-33-24/h5-7,9,13,16,23H,8,10-12,14-15H2,1-4H3,(H,29,38)(H,30,39)(H,31,36)/t23-/m1/s1.

What are the key properties of N-[2-[(11R)-20-methoxy-10,13-dioxo-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-15-yl]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

N-[2-[(11R)-20-methoxy-10,13-dioxo-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-15-yl]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 582.62 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(11R)-20-methoxy-10,13-dioxo-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-15-yl]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 135105950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).