3-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol

C14H14Cl2N2O3 — CID 106474109

IUPAC3-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol
SMILESOC1CCOCC1c1nc(Cc2c(Cl)cccc2Cl)no1
InChIInChI=1S/C14H14Cl2N2O3/c15-10-2-1-3-11(16)8(10)6-13-17-14(21-18-13)9-7-20-5-4-12(9)19/h1-3,9,12,19H,4-7H2
InChIKeyPRVBTQDLCRITES-UHFFFAOYSA-N
MW329.18 g/mol
LogP2.83
Rot. Bonds3

About 3-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol

3-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol (PubChem CID 106474109) has the molecular formula C14H14Cl2N2O3 and a molecular weight of 329.18 g/mol. Its IUPAC name is 3-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol.

Molecular Properties

Compound Name3-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol
PubChem CID106474109
Molecular FormulaC14H14Cl2N2O3
Molecular Weight329.18 g/mol
Exact Mass328.04
IUPAC Name3-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol
SMILESOC1CCOCC1c1nc(Cc2c(Cl)cccc2Cl)no1
InChIInChI=1S/C14H14Cl2N2O3/c15-10-2-1-3-11(16)8(10)6-13-17-14(21-18-13)9-7-20-5-4-12(9)19/h1-3,9,12,19H,4-7H2
InChIKeyPRVBTQDLCRITES-UHFFFAOYSA-N
XLogP2.83
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474101
3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474072
(3R,5R)-5-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912230
3-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474173
3-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474214
3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474127
3-[(2,6-dichlorophenyl)methyl]-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743359
3-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 107918226
3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474143
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxan-4-ol
CID 106474029
(4R)-4-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one
CID 129471642
3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474381

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol?
The IUPAC name of 3-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol (CID 106474109) is 3-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol.
What is the SMILES notation for 3-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol?
The canonical SMILES for 3-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol is OC1CCOCC1c1nc(Cc2c(Cl)cccc2Cl)no1.
What is the InChIKey of 3-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol?
The InChIKey is PRVBTQDLCRITES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O3/c15-10-2-1-3-11(16)8(10)6-13-17-14(21-18-13)9-7-20-5-4-12(9)19/h1-3,9,12,19H,4-7H2.
What are the key properties of 3-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol?
3-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol has a molecular weight of 329.18 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol is sourced from PubChem (CID 106474109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).