2-[4-(oxiran-2-ylmethoxy)phenyl]-5-[4-[4-[4-[5-[4-(oxiran-2-ylmethoxy)phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]butoxy]phenyl]-1,3,4-oxadiazole

C38H34N4O8 — CID 162782611

IUPAC2-[4-(oxiran-2-ylmethoxy)phenyl]-5-[4-[4-[4-[5-[4-(oxiran-2-ylmethoxy)phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]butoxy]phenyl]-1,3,4-oxadiazole
SMILESc1cc(-c2nnc(-c3ccc(OCC4CO4)cc3)o2)ccc1OCCCCOc1ccc(-c2nnc(-c3ccc(OCC4CO4)cc3)o2)cc1
InChIInChI=1S/C38H34N4O8/c1(19-43-29-11-3-25(4-12-29)35-39-41-37(49-35)27-7-15-31(16-8-27)45-21-33-23-47-33)2-20-44-30-13-5-26(6-14-30)36-40-42-38(50-36)28-9-17-32(18-10-28)46-22-34-24-48-34/h3-18,33-34H,1-2,19-24H2
InChIKeyUUJDTWDJUKYGNB-UHFFFAOYSA-N
MW674.71 g/mol
LogP6.91
Rot. Bonds17

About 2-[4-(oxiran-2-ylmethoxy)phenyl]-5-[4-[4-[4-[5-[4-(oxiran-2-ylmethoxy)phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]butoxy]phenyl]-1,3,4-oxadiazole

2-[4-(oxiran-2-ylmethoxy)phenyl]-5-[4-[4-[4-[5-[4-(oxiran-2-ylmethoxy)phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]butoxy]phenyl]-1,3,4-oxadiazole (PubChem CID 162782611) has the molecular formula C38H34N4O8 and a molecular weight of 674.71 g/mol. Its IUPAC name is 2-[4-(oxiran-2-ylmethoxy)phenyl]-5-[4-[4-[4-[5-[4-(oxiran-2-ylmethoxy)phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]butoxy]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(oxiran-2-ylmethoxy)phenyl]-5-[4-[4-[4-[5-[4-(oxiran-2-ylmethoxy)phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]butoxy]phenyl]-1,3,4-oxadiazole
PubChem CID162782611
Molecular FormulaC38H34N4O8
Molecular Weight674.71 g/mol
Exact Mass674.24
IUPAC Name2-[4-(oxiran-2-ylmethoxy)phenyl]-5-[4-[4-[4-[5-[4-(oxiran-2-ylmethoxy)phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]butoxy]phenyl]-1,3,4-oxadiazole
SMILESc1cc(-c2nnc(-c3ccc(OCC4CO4)cc3)o2)ccc1OCCCCOc1ccc(-c2nnc(-c3ccc(OCC4CO4)cc3)o2)cc1
InChIInChI=1S/C38H34N4O8/c1(19-43-29-11-3-25(4-12-29)35-39-41-37(49-35)27-7-15-31(16-8-27)45-21-33-23-47-33)2-20-44-30-13-5-26(6-14-30)36-40-42-38(50-36)28-9-17-32(18-10-28)46-22-34-24-48-34/h3-18,33-34H,1-2,19-24H2
InChIKeyUUJDTWDJUKYGNB-UHFFFAOYSA-N
XLogP6.91
TPSA139.82 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500674.71
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[4-(oxiran-2-ylmethoxy)phenyl]-5-[4-[4-[4-[5-[4-(oxiran-2-ylmethoxy)phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]butoxy]phenyl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
2-(4-hexadecoxyphenyl)-5-[4-[5-(4-hexadecoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 102166684
2-(4-decoxyphenyl)-5-[4-[5-(4-decoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 3725956
2,5-bis(4-octoxyphenyl)-1,3,4-oxadiazole
CID 102447909
2-[4-(4-chlorobutoxy)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 71406447
2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 146313445
2-(oxiran-2-ylmethoxy)-5-phenyl-1,3,4-oxadiazole
CID 54351767
2-[4-[4-(4-isocyanophenyl)phenoxy]butoxymethyl]oxirane;2-[[4-(4-isocyanophenyl)phenoxy]methyl]oxirane
CID 161198739
5-O-[4-[4-[4-[5-[4-(oxiran-2-ylmethoxy)phenoxy]carbonyl-1,3,4-thiadiazole-2-carbonyl]oxyphenoxy]butoxy]phenyl] 2-O-[4-(oxiran-2-ylmethoxy)phenyl] 1,3,4-thiadiazole-2,5-dicarboxylate
CID 162782621
2-[6-[4-[4-[4-[6-(oxiran-2-yl)hexoxy]phenyl]phenyl]phenoxy]hexyl]oxirane
CID 87427426
2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenoxy]ethoxymethyl]oxirane
CID 87441812
2-[6-(4-phenylphenoxy)hexoxymethyl]oxirane
CID 100977910

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxiran-2-ylmethoxy)phenyl]-5-[4-[4-[4-[5-[4-(oxiran-2-ylmethoxy)phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]butoxy]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(oxiran-2-ylmethoxy)phenyl]-5-[4-[4-[4-[5-[4-(oxiran-2-ylmethoxy)phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]butoxy]phenyl]-1,3,4-oxadiazole (CID 162782611) is 2-[4-(oxiran-2-ylmethoxy)phenyl]-5-[4-[4-[4-[5-[4-(oxiran-2-ylmethoxy)phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]butoxy]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(oxiran-2-ylmethoxy)phenyl]-5-[4-[4-[4-[5-[4-(oxiran-2-ylmethoxy)phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]butoxy]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(oxiran-2-ylmethoxy)phenyl]-5-[4-[4-[4-[5-[4-(oxiran-2-ylmethoxy)phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]butoxy]phenyl]-1,3,4-oxadiazole is c1cc(-c2nnc(-c3ccc(OCC4CO4)cc3)o2)ccc1OCCCCOc1ccc(-c2nnc(-c3ccc(OCC4CO4)cc3)o2)cc1.
What is the InChIKey of 2-[4-(oxiran-2-ylmethoxy)phenyl]-5-[4-[4-[4-[5-[4-(oxiran-2-ylmethoxy)phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]butoxy]phenyl]-1,3,4-oxadiazole?
The InChIKey is UUJDTWDJUKYGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N4O8/c1(19-43-29-11-3-25(4-12-29)35-39-41-37(49-35)27-7-15-31(16-8-27)45-21-33-23-47-33)2-20-44-30-13-5-26(6-14-30)36-40-42-38(50-36)28-9-17-32(18-10-28)46-22-34-24-48-34/h3-18,33-34H,1-2,19-24H2.
What are the key properties of 2-[4-(oxiran-2-ylmethoxy)phenyl]-5-[4-[4-[4-[5-[4-(oxiran-2-ylmethoxy)phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]butoxy]phenyl]-1,3,4-oxadiazole?
2-[4-(oxiran-2-ylmethoxy)phenyl]-5-[4-[4-[4-[5-[4-(oxiran-2-ylmethoxy)phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]butoxy]phenyl]-1,3,4-oxadiazole has a molecular weight of 674.71 g/mol, XLogP of 6.91, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxiran-2-ylmethoxy)phenyl]-5-[4-[4-[4-[5-[4-(oxiran-2-ylmethoxy)phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]butoxy]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 162782611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).