(14R)-20-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-8,14-dimethyl-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione

C25H33N7O6S — CID 135113757

About (14R)-20-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-8,14-dimethyl-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione

(14R)-20-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-8,14-dimethyl-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione (PubChem CID 135113757) has the molecular formula C25H33N7O6S and a molecular weight of 559.65 g/mol. Its IUPAC name is (14R)-20-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-8,14-dimethyl-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione.

Molecular Properties

• Compound Name: (14R)-20-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-8,14-dimethyl-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione
• PubChem CID: 135113757
• Molecular Formula: C25H33N7O6S
• Molecular Weight: 559.65 g/mol
• Exact Mass: 559.22
• IUPAC Name: (14R)-20-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-8,14-dimethyl-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione
• SMILES: Cc1ccc2c(c1)OCCCn1cc(nn1)CN(S(=O)(=O)c1c(C)noc1C)CCCNC(=O)[C@@H](C)NC2=O
• InChI: InChI=1S/C25H33N7O6S/c1-16-7-8-21-22(13-16)37-12-6-10-31-14-20(28-30-31)15-32(39(35,36)23-17(2)29-38-19(23)4)11-5-9-26-24(33)18(3)27-25(21)34/h7-8,13-14,18H,5-6,9-12,15H2,1-4H3,(H,26,33)(H,27,34)/t18-/m1/s1
• InChIKey: VLSLQUKWBHLETQ-GOSISDBHSA-N
• XLogP: 1.49
• TPSA: 161.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 2
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.65
LogP ≤ 5	1.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (14R)-20-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-8,14-dimethyl-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione?

The IUPAC name of (14R)-20-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-8,14-dimethyl-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione (CID 135113757) is (14R)-20-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-8,14-dimethyl-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione.

What is the SMILES notation for (14R)-20-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-8,14-dimethyl-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione?

The canonical SMILES for (14R)-20-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-8,14-dimethyl-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione is Cc1ccc2c(c1)OCCCn1cc(nn1)CN(S(=O)(=O)c1c(C)noc1C)CCCNC(=O)[C@@H](C)NC2=O.

What is the InChIKey of (14R)-20-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-8,14-dimethyl-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione?

The InChIKey is VLSLQUKWBHLETQ-GOSISDBHSA-N. The full InChI is InChI=1S/C25H33N7O6S/c1-16-7-8-21-22(13-16)37-12-6-10-31-14-20(28-30-31)15-32(39(35,36)23-17(2)29-38-19(23)4)11-5-9-26-24(33)18(3)27-25(21)34/h7-8,13-14,18H,5-6,9-12,15H2,1-4H3,(H,26,33)(H,27,34)/t18-/m1/s1.

What are the key properties of (14R)-20-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-8,14-dimethyl-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione?

(14R)-20-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-8,14-dimethyl-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione has a molecular weight of 559.65 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (14R)-20-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-8,14-dimethyl-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione is sourced from PubChem (CID 135113757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).