1-[difluoro-[3-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-ol

C16H19F2N3O3 — CID 119052511

IUPAC1-[difluoro-[3-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-ol
SMILESCOc1nc(C)cc(C)c1-c1noc(C(F)(F)C2(O)CCCC2)n1
InChIInChI=1S/C16H19F2N3O3/c1-9-8-10(2)19-13(23-3)11(9)12-20-14(24-21-12)16(17,18)15(22)6-4-5-7-15/h8,22H,4-7H2,1-3H3
InChIKeyPLUUKKGOSWODNJ-UHFFFAOYSA-N
MW339.34 g/mol
LogP3.15
Rot. Bonds4

About 1-[difluoro-[3-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-ol

1-[difluoro-[3-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-ol (PubChem CID 119052511) has the molecular formula C16H19F2N3O3 and a molecular weight of 339.34 g/mol. Its IUPAC name is 1-[difluoro-[3-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[difluoro-[3-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-ol
PubChem CID119052511
Molecular FormulaC16H19F2N3O3
Molecular Weight339.34 g/mol
Exact Mass339.14
IUPAC Name1-[difluoro-[3-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-ol
SMILESCOc1nc(C)cc(C)c1-c1noc(C(F)(F)C2(O)CCCC2)n1
InChIInChI=1S/C16H19F2N3O3/c1-9-8-10(2)19-13(23-3)11(9)12-20-14(24-21-12)16(17,18)15(22)6-4-5-7-15/h8,22H,4-7H2,1-3H3
InChIKeyPLUUKKGOSWODNJ-UHFFFAOYSA-N
XLogP3.15
TPSA81.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[difluoro-[3-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

5-[(3-bromophenyl)methyl]-3-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazole
CID 75385620
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 91650423
5-(3-fluoro-2,3-dimethylbutan-2-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 15526324
(2-methoxy-4,6-dimethyl-3-pyridinyl)boronic acid
CID 86686389
3-[2,6-dimethyl-4-[3-(6-methylpyridazin-3-yl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 15954646
5-methoxy-7-methyl-4-N-(oxolan-2-ylmethyl)pyrido[4,3-d]pyrimidine-2,4-diamine
CID 170726752
3-[4-[3-[6-(methoxymethyl)pyridazin-3-yl]propoxy]-2,6-dimethylphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 15954678
3-isocyano-2-methoxy-4,6-dimethylpyridine
CID 140776700
4-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-(3-methyl-1,2-oxazol-5-yl)butan-1-one
CID 169006546
2-methoxy-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 82389554
3-[6-[3-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propoxy]-5-fluoro-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 90449116
2-bromo-3-methoxy-4,6-dimethylpyridine
CID 46177892

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro-[3-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[difluoro-[3-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-ol (CID 119052511) is 1-[difluoro-[3-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[difluoro-[3-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[difluoro-[3-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-ol is COc1nc(C)cc(C)c1-c1noc(C(F)(F)C2(O)CCCC2)n1.
What is the InChIKey of 1-[difluoro-[3-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-ol?
The InChIKey is PLUUKKGOSWODNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O3/c1-9-8-10(2)19-13(23-3)11(9)12-20-14(24-21-12)16(17,18)15(22)6-4-5-7-15/h8,22H,4-7H2,1-3H3.
What are the key properties of 1-[difluoro-[3-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-ol?
1-[difluoro-[3-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-ol has a molecular weight of 339.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro-[3-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-ol is sourced from PubChem (CID 119052511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).