[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-3-pyridinyl]methanol

C22H25FN4O2 — CID 110129610

IUPAC[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-3-pyridinyl]methanol
SMILESCc1noc(C)c1-c1nc(C2CCCN(Cc3ncccc3F)C2)ccc1CO
InChIInChI=1S/C22H25FN4O2/c1-14-21(15(2)29-26-14)22-17(13-28)7-8-19(25-22)16-5-4-10-27(11-16)12-20-18(23)6-3-9-24-20/h3,6-9,16,28H,4-5,10-13H2,1-2H3
InChIKeyRFJNBBLPOACTDA-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.76
Rot. Bonds5

About [2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-3-pyridinyl]methanol

[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-3-pyridinyl]methanol (PubChem CID 110129610) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is [2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-3-pyridinyl]methanol
PubChem CID110129610
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-3-pyridinyl]methanol
SMILESCc1noc(C)c1-c1nc(C2CCCN(Cc3ncccc3F)C2)ccc1CO
InChIInChI=1S/C22H25FN4O2/c1-14-21(15(2)29-26-14)22-17(13-28)7-8-19(25-22)16-5-4-10-27(11-16)12-20-18(23)6-3-9-24-20/h3,6-9,16,28H,4-5,10-13H2,1-2H3
InChIKeyRFJNBBLPOACTDA-UHFFFAOYSA-N
XLogP3.76
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-3-pyridinyl]methanol with MolForge

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Related Compounds

3-amino-1-[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(hydroxymethyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 110135442
6-[(3S)-1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine
CID 124974081
4-[6-[(3S)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole
CID 125024963
4-[[3-[(3-fluoro-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 172893719
N-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-2-(3-fluoro-2-pyridinyl)acetamide
CID 154796864
3,5-dimethyl-4-[6-[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]-1,2-oxazole
CID 124960755
2-[[(3R)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 95143538
1-[3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 110158999
4-(difluoromethyl)-6-[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine
CID 110217753
3,5-dimethyl-4-[[(3R)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 95110918
2-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 95130318
2-(2-fluorophenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809145

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-3-pyridinyl]methanol?
The IUPAC name of [2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-3-pyridinyl]methanol (CID 110129610) is [2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-3-pyridinyl]methanol.
What is the SMILES notation for [2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-3-pyridinyl]methanol?
The canonical SMILES for [2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-3-pyridinyl]methanol is Cc1noc(C)c1-c1nc(C2CCCN(Cc3ncccc3F)C2)ccc1CO.
What is the InChIKey of [2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-3-pyridinyl]methanol?
The InChIKey is RFJNBBLPOACTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-14-21(15(2)29-26-14)22-17(13-28)7-8-19(25-22)16-5-4-10-27(11-16)12-20-18(23)6-3-9-24-20/h3,6-9,16,28H,4-5,10-13H2,1-2H3.
What are the key properties of [2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-3-pyridinyl]methanol?
[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-3-pyridinyl]methanol has a molecular weight of 396.47 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-3-pyridinyl]methanol is sourced from PubChem (CID 110129610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).