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

C12H20N2O2 — CID 47523985

IUPAC[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]methanol
SMILESCc1nc(CN2CCCCC2CO)oc1C
InChIInChI=1S/C12H20N2O2/c1-9-10(2)16-12(13-9)7-14-6-4-3-5-11(14)8-15/h11,15H,3-8H2,1-2H3
InChIKeyQIKURUPTTSENNI-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.64
Rot. Bonds3

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

[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]methanol (PubChem CID 47523985) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]methanol
PubChem CID47523985
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]methanol
SMILESCc1nc(CN2CCCCC2CO)oc1C
InChIInChI=1S/C12H20N2O2/c1-9-10(2)16-12(13-9)7-14-6-4-3-5-11(14)8-15/h11,15H,3-8H2,1-2H3
InChIKeyQIKURUPTTSENNI-UHFFFAOYSA-N
XLogP1.64
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methanol
CID 94145485
cis-(1S,2R)-2-[(2R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 129445632
1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]ethanamine
CID 63256134
[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azepan-2-yl]methanol
CID 116637251
2-[[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 95172453
[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 62016869
2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 95350038
[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-2-yl]methanol
CID 116637274
[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methanol
CID 60685146
4,5-dimethyl-2-[[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 129380483
[1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 62015900
1-[(1-benzylpiperidin-2-yl)methyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine
CID 109430959

Frequently Asked Questions

What is the IUPAC name of [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]methanol (CID 47523985) is [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]methanol is Cc1nc(CN2CCCCC2CO)oc1C.
What is the InChIKey of [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]methanol?
The InChIKey is QIKURUPTTSENNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9-10(2)16-12(13-9)7-14-6-4-3-5-11(14)8-15/h11,15H,3-8H2,1-2H3.
What are the key properties of [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]methanol?
[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]methanol has a molecular weight of 224.30 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 47523985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).