5-[3,5-bis[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]phenyl]-3-(4-propoxyphenyl)-1,2-oxazole

C42H39N3O6 — CID 53360252

IUPAC5-[3,5-bis[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]phenyl]-3-(4-propoxyphenyl)-1,2-oxazole
SMILESCCCOc1ccc(-c2cc(-c3cc(-c4cc(-c5ccc(OCCC)cc5)no4)cc(-c4cc(-c5ccc(OCCC)cc5)no4)c3)on2)cc1
InChIInChI=1S/C42H39N3O6/c1-4-19-46-34-13-7-28(8-14-34)37-25-40(49-43-37)31-22-32(41-26-38(44-50-41)29-9-15-35(16-10-29)47-20-5-2)24-33(23-31)42-27-39(45-51-42)30-11-17-36(18-12-30)48-21-6-3/h7-18,22-27H,4-6,19-21H2,1-3H3
InChIKeyGKQINOOJJQHFEY-UHFFFAOYSA-N
MW681.79 g/mol
LogP11.02
Rot. Bonds15

About 5-[3,5-bis[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]phenyl]-3-(4-propoxyphenyl)-1,2-oxazole

5-[3,5-bis[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]phenyl]-3-(4-propoxyphenyl)-1,2-oxazole (PubChem CID 53360252) has the molecular formula C42H39N3O6 and a molecular weight of 681.79 g/mol. Its IUPAC name is 5-[3,5-bis[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]phenyl]-3-(4-propoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-[3,5-bis[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]phenyl]-3-(4-propoxyphenyl)-1,2-oxazole
PubChem CID53360252
Molecular FormulaC42H39N3O6
Molecular Weight681.79 g/mol
Exact Mass681.28
IUPAC Name5-[3,5-bis[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]phenyl]-3-(4-propoxyphenyl)-1,2-oxazole
SMILESCCCOc1ccc(-c2cc(-c3cc(-c4cc(-c5ccc(OCCC)cc5)no4)cc(-c4cc(-c5ccc(OCCC)cc5)no4)c3)on2)cc1
InChIInChI=1S/C42H39N3O6/c1-4-19-46-34-13-7-28(8-14-34)37-25-40(49-43-37)31-22-32(41-26-38(44-50-41)29-9-15-35(16-10-29)47-20-5-2)24-33(23-31)42-27-39(45-51-42)30-11-17-36(18-12-30)48-21-6-3/h7-18,22-27H,4-6,19-21H2,1-3H3
InChIKeyGKQINOOJJQHFEY-UHFFFAOYSA-N
XLogP11.02
TPSA105.78 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.79
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

3-(4-methylphenyl)-5-(4-pentoxyphenyl)-1,2-oxazole
CID 122432767
5-chloro-3-(4-propoxyphenyl)-1,2-oxazole
CID 80646468
4-[3-(4-butoxyphenyl)-1,2-oxazol-5-yl]benzonitrile
CID 71367381
3-(4-bromophenyl)-5-(4-decoxyphenyl)-1,2-oxazole
CID 25227832
5-(4-propoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 54846705
2-[5-(4-propoxyphenyl)-1,2-oxazol-3-yl]ethanamine
CID 95732607
[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
CID 46892868
3,5-bis(4-methoxyphenyl)-1,2-oxazole
CID 10956920
phosphoroso 4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzoate
CID 121382191
4-[4-[5-(4-decoxyphenyl)-1,2-oxazol-3-yl]phenyl]morpholine
CID 122376206
methyl N-[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]carbamate
CID 174638480
[4-[5-[3,5-bis[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,2-oxazol-5-yl]phenyl]-1,2-oxazol-3-yl]phenoxy]-tert-butyl-dimethylsilane
CID 53360376

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]phenyl]-3-(4-propoxyphenyl)-1,2-oxazole?
The IUPAC name of 5-[3,5-bis[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]phenyl]-3-(4-propoxyphenyl)-1,2-oxazole (CID 53360252) is 5-[3,5-bis[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]phenyl]-3-(4-propoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 5-[3,5-bis[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]phenyl]-3-(4-propoxyphenyl)-1,2-oxazole?
The canonical SMILES for 5-[3,5-bis[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]phenyl]-3-(4-propoxyphenyl)-1,2-oxazole is CCCOc1ccc(-c2cc(-c3cc(-c4cc(-c5ccc(OCCC)cc5)no4)cc(-c4cc(-c5ccc(OCCC)cc5)no4)c3)on2)cc1.
What is the InChIKey of 5-[3,5-bis[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]phenyl]-3-(4-propoxyphenyl)-1,2-oxazole?
The InChIKey is GKQINOOJJQHFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H39N3O6/c1-4-19-46-34-13-7-28(8-14-34)37-25-40(49-43-37)31-22-32(41-26-38(44-50-41)29-9-15-35(16-10-29)47-20-5-2)24-33(23-31)42-27-39(45-51-42)30-11-17-36(18-12-30)48-21-6-3/h7-18,22-27H,4-6,19-21H2,1-3H3.
What are the key properties of 5-[3,5-bis[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]phenyl]-3-(4-propoxyphenyl)-1,2-oxazole?
5-[3,5-bis[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]phenyl]-3-(4-propoxyphenyl)-1,2-oxazole has a molecular weight of 681.79 g/mol, XLogP of 11.02, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]phenyl]-3-(4-propoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 53360252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).