[3-[5-chloro-6-(4-fluoro-1-methylpiperidin-4-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methanol

C14H16ClFN4O2 — CID 131969619

IUPAC[3-[5-chloro-6-(4-fluoro-1-methylpiperidin-4-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methanol
SMILESCN1CCC(F)(c2ncc(-c3noc(CO)n3)cc2Cl)CC1
InChIInChI=1S/C14H16ClFN4O2/c1-20-4-2-14(16,3-5-20)12-10(15)6-9(7-17-12)13-18-11(8-21)22-19-13/h6-7,21H,2-5,8H2,1H3
InChIKeyDJCIBVZINJAXAK-UHFFFAOYSA-N
MW326.76 g/mol
LogP2.17
Rot. Bonds3

About [3-[5-chloro-6-(4-fluoro-1-methylpiperidin-4-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methanol

[3-[5-chloro-6-(4-fluoro-1-methylpiperidin-4-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methanol (PubChem CID 131969619) has the molecular formula C14H16ClFN4O2 and a molecular weight of 326.76 g/mol. Its IUPAC name is [3-[5-chloro-6-(4-fluoro-1-methylpiperidin-4-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[5-chloro-6-(4-fluoro-1-methylpiperidin-4-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methanol
PubChem CID131969619
Molecular FormulaC14H16ClFN4O2
Molecular Weight326.76 g/mol
Exact Mass326.09
IUPAC Name[3-[5-chloro-6-(4-fluoro-1-methylpiperidin-4-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methanol
SMILESCN1CCC(F)(c2ncc(-c3noc(CO)n3)cc2Cl)CC1
InChIInChI=1S/C14H16ClFN4O2/c1-20-4-2-14(16,3-5-20)12-10(15)6-9(7-17-12)13-18-11(8-21)22-19-13/h6-7,21H,2-5,8H2,1H3
InChIKeyDJCIBVZINJAXAK-UHFFFAOYSA-N
XLogP2.17
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.76
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-[5-chloro-6-(4-fluoro-1-methylpiperidin-4-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methanol with MolForge

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Related Compounds

[5-[5-chloro-6-(4-fluoro-1-methylpiperidin-4-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]methanol
CID 131969498
[3-(5-chlorofuran-2-yl)-1,2,4-oxadiazol-5-yl]methanol
CID 115079991
N-[5-chloro-4-(1,1-difluoropropyl)-5-methylcyclohexa-1,3-dien-1-yl]-4-[3-chloro-5-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 131969610
N-[5-[5-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide
CID 170108236
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 37134678
1-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 81491862
1-[[3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one
CID 86640840
[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82473258
3-(3,4-dichlorophenyl)-5-(4-pyrrolidin-1-ylbutyl)-1,2,4-oxadiazole
CID 154631731
3-(3,4-dichlorophenyl)-5-(4-piperidin-1-ylbutyl)-1,2,4-oxadiazole
CID 154631709
1-[4-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-4-fluoropiperidin-1-yl]ethanone
CID 157026055
7-chloro-5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2-[(4,4-difluorocyclohexyl)methyl]isoindol-1-ol
CID 90927434

Frequently Asked Questions

What is the IUPAC name of [3-[5-chloro-6-(4-fluoro-1-methylpiperidin-4-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methanol?
The IUPAC name of [3-[5-chloro-6-(4-fluoro-1-methylpiperidin-4-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methanol (CID 131969619) is [3-[5-chloro-6-(4-fluoro-1-methylpiperidin-4-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methanol.
What is the SMILES notation for [3-[5-chloro-6-(4-fluoro-1-methylpiperidin-4-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methanol?
The canonical SMILES for [3-[5-chloro-6-(4-fluoro-1-methylpiperidin-4-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methanol is CN1CCC(F)(c2ncc(-c3noc(CO)n3)cc2Cl)CC1.
What is the InChIKey of [3-[5-chloro-6-(4-fluoro-1-methylpiperidin-4-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methanol?
The InChIKey is DJCIBVZINJAXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN4O2/c1-20-4-2-14(16,3-5-20)12-10(15)6-9(7-17-12)13-18-11(8-21)22-19-13/h6-7,21H,2-5,8H2,1H3.
What are the key properties of [3-[5-chloro-6-(4-fluoro-1-methylpiperidin-4-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methanol?
[3-[5-chloro-6-(4-fluoro-1-methylpiperidin-4-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methanol has a molecular weight of 326.76 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-chloro-6-(4-fluoro-1-methylpiperidin-4-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methanol is sourced from PubChem (CID 131969619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).