5-(2-ethoxyethyl)-5-[4-[4-(4-pyridin-2-yl-1,3-oxazol-2-yl)phenoxy]phenoxy]-1,3-diazinane-2,4,6-trione

C28H24N4O7 — CID 10174791

IUPAC5-(2-ethoxyethyl)-5-[4-[4-(4-pyridin-2-yl-1,3-oxazol-2-yl)phenoxy]phenoxy]-1,3-diazinane-2,4,6-trione
SMILESCCOCCC1(Oc2ccc(Oc3ccc(-c4nc(-c5ccccn5)co4)cc3)cc2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C28H24N4O7/c1-2-36-16-14-28(25(33)31-27(35)32-26(28)34)39-21-12-10-20(11-13-21)38-19-8-6-18(7-9-19)24-30-23(17-37-24)22-5-3-4-15-29-22/h3-13,15,17H,2,14,16H2,1H3,(H2,31,32,33,34,35)
InChIKeyFMEAQXZJDJBJJP-UHFFFAOYSA-N
MW528.52 g/mol
LogP4.11
Rot. Bonds10

About 5-(2-ethoxyethyl)-5-[4-[4-(4-pyridin-2-yl-1,3-oxazol-2-yl)phenoxy]phenoxy]-1,3-diazinane-2,4,6-trione

5-(2-ethoxyethyl)-5-[4-[4-(4-pyridin-2-yl-1,3-oxazol-2-yl)phenoxy]phenoxy]-1,3-diazinane-2,4,6-trione (PubChem CID 10174791) has the molecular formula C28H24N4O7 and a molecular weight of 528.52 g/mol. Its IUPAC name is 5-(2-ethoxyethyl)-5-[4-[4-(4-pyridin-2-yl-1,3-oxazol-2-yl)phenoxy]phenoxy]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(2-ethoxyethyl)-5-[4-[4-(4-pyridin-2-yl-1,3-oxazol-2-yl)phenoxy]phenoxy]-1,3-diazinane-2,4,6-trione
PubChem CID10174791
Molecular FormulaC28H24N4O7
Molecular Weight528.52 g/mol
Exact Mass528.16
IUPAC Name5-(2-ethoxyethyl)-5-[4-[4-(4-pyridin-2-yl-1,3-oxazol-2-yl)phenoxy]phenoxy]-1,3-diazinane-2,4,6-trione
SMILESCCOCCC1(Oc2ccc(Oc3ccc(-c4nc(-c5ccccn5)co4)cc3)cc2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C28H24N4O7/c1-2-36-16-14-28(25(33)31-27(35)32-26(28)34)39-21-12-10-20(11-13-21)38-19-8-6-18(7-9-19)24-30-23(17-37-24)22-5-3-4-15-29-22/h3-13,15,17H,2,14,16H2,1H3,(H2,31,32,33,34,35)
InChIKeyFMEAQXZJDJBJJP-UHFFFAOYSA-N
XLogP4.11
TPSA141.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.52
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyethyl)-5-[4-[4-(4-pyridin-2-yl-1,3-oxazol-2-yl)phenoxy]phenoxy]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(2-ethoxyethyl)-5-[4-[4-(4-pyridin-2-yl-1,3-oxazol-2-yl)phenoxy]phenoxy]-1,3-diazinane-2,4,6-trione (CID 10174791) is 5-(2-ethoxyethyl)-5-[4-[4-(4-pyridin-2-yl-1,3-oxazol-2-yl)phenoxy]phenoxy]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(2-ethoxyethyl)-5-[4-[4-(4-pyridin-2-yl-1,3-oxazol-2-yl)phenoxy]phenoxy]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(2-ethoxyethyl)-5-[4-[4-(4-pyridin-2-yl-1,3-oxazol-2-yl)phenoxy]phenoxy]-1,3-diazinane-2,4,6-trione is CCOCCC1(Oc2ccc(Oc3ccc(-c4nc(-c5ccccn5)co4)cc3)cc2)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-(2-ethoxyethyl)-5-[4-[4-(4-pyridin-2-yl-1,3-oxazol-2-yl)phenoxy]phenoxy]-1,3-diazinane-2,4,6-trione?
The InChIKey is FMEAQXZJDJBJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O7/c1-2-36-16-14-28(25(33)31-27(35)32-26(28)34)39-21-12-10-20(11-13-21)38-19-8-6-18(7-9-19)24-30-23(17-37-24)22-5-3-4-15-29-22/h3-13,15,17H,2,14,16H2,1H3,(H2,31,32,33,34,35).
What are the key properties of 5-(2-ethoxyethyl)-5-[4-[4-(4-pyridin-2-yl-1,3-oxazol-2-yl)phenoxy]phenoxy]-1,3-diazinane-2,4,6-trione?
5-(2-ethoxyethyl)-5-[4-[4-(4-pyridin-2-yl-1,3-oxazol-2-yl)phenoxy]phenoxy]-1,3-diazinane-2,4,6-trione has a molecular weight of 528.52 g/mol, XLogP of 4.11, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyethyl)-5-[4-[4-(4-pyridin-2-yl-1,3-oxazol-2-yl)phenoxy]phenoxy]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 10174791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).