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(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

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(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
SMILESCOc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)N4CCN(S(=O)(=O)c5c(C)noc5C)CC4)C3=O)ccc2c1
InChIInChI=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
InChIKeyBIYNQKHQRPZLOA-SANMLTNESA-N
MW555.61 g/mol
LogP1.75
Rot. Bonds6

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 CID97353864
Molecular FormulaC26H29N5O7S
Molecular Weight555.61 g/mol
Exact Mass555.18
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
SMILESCOc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)N4CCN(S(=O)(=O)c5c(C)noc5C)CC4)C3=O)ccc2c1
InChIInChI=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
InChIKeyBIYNQKHQRPZLOA-SANMLTNESA-N
XLogP1.75
TPSA142.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.61
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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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).

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