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

C16H13ClN2O3 — CID 110655988

IUPAC2-[(3-chlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole
SMILESClc1cccc(OCc2nnc(COc3ccccc3)o2)c1
InChIInChI=1S/C16H13ClN2O3/c17-12-5-4-8-14(9-12)21-11-16-19-18-15(22-16)10-20-13-6-2-1-3-7-13/h1-9H,10-11H2
InChIKeyYIJNPGNEZBZJTL-UHFFFAOYSA-N
MW316.74 g/mol
LogP3.88
Rot. Bonds6

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

2-[(3-chlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole (PubChem CID 110655988) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is 2-[(3-chlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3-chlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole
PubChem CID110655988
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC Name2-[(3-chlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole
SMILESClc1cccc(OCc2nnc(COc3ccccc3)o2)c1
InChIInChI=1S/C16H13ClN2O3/c17-12-5-4-8-14(9-12)21-11-16-19-18-15(22-16)10-20-13-6-2-1-3-7-13/h1-9H,10-11H2
InChIKeyYIJNPGNEZBZJTL-UHFFFAOYSA-N
XLogP3.88
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,5-dichlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 110656023
2-[(3-chlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 110655637
2-(phenoxymethyl)-5-[(4-phenoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 110656017
1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62229658
2,4-dichloro-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110653618
N-[3-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 62229477
2-(phenoxymethyl)-5-[6-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]hexyl]-1,3,4-oxadiazole
CID 11259075
N-[1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62229836
1-chloro-3-(3-phenoxypropoxy)benzene
CID 60665433
2-[2-(3-chlorophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110656035
1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857114
4-chloro-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(trifluoromethyl)aniline
CID 110653614

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(3-chlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole (CID 110655988) is 2-[(3-chlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3-chlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3-chlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole is Clc1cccc(OCc2nnc(COc3ccccc3)o2)c1.
What is the InChIKey of 2-[(3-chlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole?
The InChIKey is YIJNPGNEZBZJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c17-12-5-4-8-14(9-12)21-11-16-19-18-15(22-16)10-20-13-6-2-1-3-7-13/h1-9H,10-11H2.
What are the key properties of 2-[(3-chlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole?
2-[(3-chlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole has a molecular weight of 316.74 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 110655988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).