2-[4-[3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]phenoxy]phenyl]-4,5-dihydro-1,3-oxazole

C24H20N2O4 — CID 139743368

IUPAC2-[4-[3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]phenoxy]phenyl]-4,5-dihydro-1,3-oxazole
SMILESc1cc(Oc2ccc(C3=NCCO3)cc2)cc(Oc2ccc(C3=NCCO3)cc2)c1
InChIInChI=1S/C24H20N2O4/c1-2-21(29-19-8-4-17(5-9-19)23-25-12-14-27-23)16-22(3-1)30-20-10-6-18(7-11-20)24-26-13-15-28-24/h1-11,16H,12-15H2
InChIKeyNYXKEDIKKICRDE-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.82
Rot. Bonds6

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

2-[4-[3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]phenoxy]phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 139743368) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is 2-[4-[3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]phenoxy]phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[4-[3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]phenoxy]phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID139743368
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name2-[4-[3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]phenoxy]phenyl]-4,5-dihydro-1,3-oxazole
SMILESc1cc(Oc2ccc(C3=NCCO3)cc2)cc(Oc2ccc(C3=NCCO3)cc2)c1
InChIInChI=1S/C24H20N2O4/c1-2-21(29-19-8-4-17(5-9-19)23-25-12-14-27-23)16-22(3-1)30-20-10-6-18(7-11-20)24-26-13-15-28-24/h1-11,16H,12-15H2
InChIKeyNYXKEDIKKICRDE-UHFFFAOYSA-N
XLogP4.82
TPSA61.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]phenoxy]phenyl]-4,5-dihydro-1,3-oxazole with MolForge

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Related Compounds

2-[4-[3,5-bis[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]phenoxy]phenyl]-4,5-dihydro-1,3-oxazole
CID 139743389
2-[3-[4,6-bis[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 135250784
3-(4,5-dihydro-1,3-oxazol-2-yl)phenol
CID 139059691
2-[4-(4-bromobut-2-enoxy)phenyl]-4,5-dihydro-1,3-oxazole
CID 54407903
2-phenoxy-4,5-dihydro-1,3-oxazole
CID 23021983
2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 67984069
2-quinolin-6-yl-4,5-dihydro-1,3-oxazole
CID 174566262
2-[4-[3-[9-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 135250322
3-(4,5-dihydro-1,3-oxazol-2-yl)-N-propan-2-ylbenzamide
CID 173139178
2-[[4-[4-[3-[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]phenoxy]phenyl]phenoxy]methyl]oxirane
CID 87453140
1-fluoro-4-[3-[3-[3-[3-(4-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
CID 22338364
1,3-bis(4-methoxyphenoxy)benzene
CID 629519

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]phenoxy]phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[4-[3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]phenoxy]phenyl]-4,5-dihydro-1,3-oxazole (CID 139743368) is 2-[4-[3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]phenoxy]phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[4-[3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]phenoxy]phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[4-[3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]phenoxy]phenyl]-4,5-dihydro-1,3-oxazole is c1cc(Oc2ccc(C3=NCCO3)cc2)cc(Oc2ccc(C3=NCCO3)cc2)c1.
What is the InChIKey of 2-[4-[3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]phenoxy]phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is NYXKEDIKKICRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-2-21(29-19-8-4-17(5-9-19)23-25-12-14-27-23)16-22(3-1)30-20-10-6-18(7-11-20)24-26-13-15-28-24/h1-11,16H,12-15H2.
What are the key properties of 2-[4-[3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]phenoxy]phenyl]-4,5-dihydro-1,3-oxazole?
2-[4-[3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]phenoxy]phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 400.43 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]phenoxy]phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 139743368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).