[5-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-1,3,4-oxadiazol-2-yl]methanol

C14H10Cl2N4O3 — CID 170608894

IUPAC[5-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-1,3,4-oxadiazol-2-yl]methanol
SMILESOCc1nnc(-c2ncc(OCc3c(Cl)cccc3Cl)cn2)o1
InChIInChI=1S/C14H10Cl2N4O3/c15-10-2-1-3-11(16)9(10)7-22-8-4-17-13(18-5-8)14-20-19-12(6-21)23-14/h1-5,21H,6-7H2
InChIKeyBRSLFIYVFGGVLE-UHFFFAOYSA-N
MW353.17 g/mol
LogP2.90
Rot. Bonds5

About [5-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-1,3,4-oxadiazol-2-yl]methanol

[5-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-1,3,4-oxadiazol-2-yl]methanol (PubChem CID 170608894) has the molecular formula C14H10Cl2N4O3 and a molecular weight of 353.17 g/mol. Its IUPAC name is [5-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-1,3,4-oxadiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-1,3,4-oxadiazol-2-yl]methanol
PubChem CID170608894
Molecular FormulaC14H10Cl2N4O3
Molecular Weight353.17 g/mol
Exact Mass352.01
IUPAC Name[5-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-1,3,4-oxadiazol-2-yl]methanol
SMILESOCc1nnc(-c2ncc(OCc3c(Cl)cccc3Cl)cn2)o1
InChIInChI=1S/C14H10Cl2N4O3/c15-10-2-1-3-11(16)9(10)7-22-8-4-17-13(18-5-8)14-20-19-12(6-21)23-14/h1-5,21H,6-7H2
InChIKeyBRSLFIYVFGGVLE-UHFFFAOYSA-N
XLogP2.90
TPSA94.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.17
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(chloromethyl)-5-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazole
CID 176829073
[3-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-1H-pyrazol-5-yl]methanol
CID 170608573
5-[(2,6-dichlorophenyl)methoxy]-2-methylpyrimidine
CID 170608959
2-bromo-5-[(2,6-dichlorophenyl)methoxy]pyridine
CID 103695201
5-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboxylic acid
CID 79793988
[1-[5-[(2-tert-butyl-6-chlorophenyl)methoxy]pyrimidin-2-yl]pyrazol-3-yl]methanol
CID 176829001
N,N'-diamino-5-[(2,6-dichlorophenyl)methoxy]pyrimidine-2-carboximidamide
CID 170608782
1-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]propan-1-one
CID 78801452
[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]pyrazol-4-yl]methanol
CID 170608510
1,3-dichloro-2-[(4-iodophenoxy)methyl]benzene
CID 60627529
2-[(4-bromophenoxy)methyl]-1,3-dichlorobenzene
CID 925892
(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanol
CID 43558918

Frequently Asked Questions

What is the IUPAC name of [5-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-1,3,4-oxadiazol-2-yl]methanol?
The IUPAC name of [5-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-1,3,4-oxadiazol-2-yl]methanol (CID 170608894) is [5-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-1,3,4-oxadiazol-2-yl]methanol.
What is the SMILES notation for [5-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-1,3,4-oxadiazol-2-yl]methanol?
The canonical SMILES for [5-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-1,3,4-oxadiazol-2-yl]methanol is OCc1nnc(-c2ncc(OCc3c(Cl)cccc3Cl)cn2)o1.
What is the InChIKey of [5-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-1,3,4-oxadiazol-2-yl]methanol?
The InChIKey is BRSLFIYVFGGVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4O3/c15-10-2-1-3-11(16)9(10)7-22-8-4-17-13(18-5-8)14-20-19-12(6-21)23-14/h1-5,21H,6-7H2.
What are the key properties of [5-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-1,3,4-oxadiazol-2-yl]methanol?
[5-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-1,3,4-oxadiazol-2-yl]methanol has a molecular weight of 353.17 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-1,3,4-oxadiazol-2-yl]methanol is sourced from PubChem (CID 170608894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).