(5S)-3-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione

C26H29N5O7S — CID 97353864

About (5S)-3-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione

(5S)-3-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione (PubChem CID 97353864) has the molecular formula C26H29N5O7S and a molecular weight of 555.61 g/mol. Its IUPAC name is (5S)-3-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-3-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione
• PubChem CID: 97353864
• Molecular Formula: C26H29N5O7S
• Molecular Weight: 555.61 g/mol
• Exact Mass: 555.18
• IUPAC Name: (5S)-3-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione
• SMILES: COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)N4CCN(S(=O)(=O)c5c(C)noc5C)CC4)C3=O)ccc2c1
• InChI: InChI=1S/C26H29N5O7S/c1-16-23(17(2)38-28-16)39(35,36)30-11-9-29(10-12-30)22(32)15-31-24(33)26(3,27-25(31)34)20-7-5-19-14-21(37-4)8-6-18(19)13-20/h5-8,13-14H,9-12,15H2,1-4H3,(H,27,34)/t26-/m0/s1
• InChIKey: BIYNQKHQRPZLOA-SANMLTNESA-N
• XLogP: 1.75
• TPSA: 142.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.61
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione?

The IUPAC name of (5S)-3-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione (CID 97353864) is (5S)-3-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione.

What is the SMILES notation for (5S)-3-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione?

The canonical SMILES for (5S)-3-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione is COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)N4CCN(S(=O)(=O)c5c(C)noc5C)CC4)C3=O)ccc2c1.

What is the InChIKey of (5S)-3-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione?

The InChIKey is BIYNQKHQRPZLOA-SANMLTNESA-N. The full InChI is InChI=1S/C26H29N5O7S/c1-16-23(17(2)38-28-16)39(35,36)30-11-9-29(10-12-30)22(32)15-31-24(33)26(3,27-25(31)34)20-7-5-19-14-21(37-4)8-6-18(19)13-20/h5-8,13-14H,9-12,15H2,1-4H3,(H,27,34)/t26-/m0/s1.

What are the key properties of (5S)-3-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione?

(5S)-3-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione has a molecular weight of 555.61 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-3-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 97353864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).