2-(phenoxymethyl)-5-[(4-phenoxyphenoxy)methyl]-1,3,4-oxadiazole

C22H18N2O4 — CID 110656017

IUPAC2-(phenoxymethyl)-5-[(4-phenoxyphenoxy)methyl]-1,3,4-oxadiazole
SMILESc1ccc(OCc2nnc(COc3ccc(Oc4ccccc4)cc3)o2)cc1
InChIInChI=1S/C22H18N2O4/c1-3-7-17(8-4-1)25-15-21-23-24-22(28-21)16-26-18-11-13-20(14-12-18)27-19-9-5-2-6-10-19/h1-14H,15-16H2
InChIKeyLRZKHVUQUUQCTG-UHFFFAOYSA-N
MW374.40 g/mol
LogP5.02
Rot. Bonds8

About 2-(phenoxymethyl)-5-[(4-phenoxyphenoxy)methyl]-1,3,4-oxadiazole

2-(phenoxymethyl)-5-[(4-phenoxyphenoxy)methyl]-1,3,4-oxadiazole (PubChem CID 110656017) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-(phenoxymethyl)-5-[(4-phenoxyphenoxy)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(phenoxymethyl)-5-[(4-phenoxyphenoxy)methyl]-1,3,4-oxadiazole
PubChem CID110656017
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name2-(phenoxymethyl)-5-[(4-phenoxyphenoxy)methyl]-1,3,4-oxadiazole
SMILESc1ccc(OCc2nnc(COc3ccc(Oc4ccccc4)cc3)o2)cc1
InChIInChI=1S/C22H18N2O4/c1-3-7-17(8-4-1)25-15-21-23-24-22(28-21)16-26-18-11-13-20(14-12-18)27-19-9-5-2-6-10-19/h1-14H,15-16H2
InChIKeyLRZKHVUQUUQCTG-UHFFFAOYSA-N
XLogP5.02
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.40
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(phenoxymethyl)-5-[6-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]hexyl]-1,3,4-oxadiazole
CID 11259075
2-[(3-chlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 110655988
2-(3-methylphenyl)-5-[(4-phenoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 110655626
2-(benzenesulfonylmethyl)-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 110656615
2-(phenoxymethyl)-5-(pyridin-2-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 110656609
N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpropan-1-amine
CID 110653522
N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1,1-diphenylmethanimine
CID 15954166
N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]prop-2-en-1-amine
CID 110653439
2-[(2,5-dichlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 110656023
2-(phenoxymethyl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole
CID 94283229
2-(phenoxymethyl)-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole
CID 110656016
2-[(4-bromophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 18859382

Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-5-[(4-phenoxyphenoxy)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(phenoxymethyl)-5-[(4-phenoxyphenoxy)methyl]-1,3,4-oxadiazole (CID 110656017) is 2-(phenoxymethyl)-5-[(4-phenoxyphenoxy)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(phenoxymethyl)-5-[(4-phenoxyphenoxy)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(phenoxymethyl)-5-[(4-phenoxyphenoxy)methyl]-1,3,4-oxadiazole is c1ccc(OCc2nnc(COc3ccc(Oc4ccccc4)cc3)o2)cc1.
What is the InChIKey of 2-(phenoxymethyl)-5-[(4-phenoxyphenoxy)methyl]-1,3,4-oxadiazole?
The InChIKey is LRZKHVUQUUQCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-3-7-17(8-4-1)25-15-21-23-24-22(28-21)16-26-18-11-13-20(14-12-18)27-19-9-5-2-6-10-19/h1-14H,15-16H2.
What are the key properties of 2-(phenoxymethyl)-5-[(4-phenoxyphenoxy)methyl]-1,3,4-oxadiazole?
2-(phenoxymethyl)-5-[(4-phenoxyphenoxy)methyl]-1,3,4-oxadiazole has a molecular weight of 374.40 g/mol, XLogP of 5.02, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-5-[(4-phenoxyphenoxy)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 110656017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).