[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-phenylmethanol

C18H24N2O3 — CID 139008684

IUPAC[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-phenylmethanol
SMILESCOCc1cc(CN2CCC(C(O)c3ccccc3)CC2)no1
InChIInChI=1S/C18H24N2O3/c1-22-13-17-11-16(19-23-17)12-20-9-7-15(8-10-20)18(21)14-5-3-2-4-6-14/h2-6,11,15,18,21H,7-10,12-13H2,1H3
InChIKeySATYDZJKGBYFKI-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.77
Rot. Bonds6

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

[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-phenylmethanol (PubChem CID 139008684) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is [1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-phenylmethanol.

Molecular Properties

Compound Name[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-phenylmethanol
PubChem CID139008684
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-phenylmethanol
SMILESCOCc1cc(CN2CCC(C(O)c3ccccc3)CC2)no1
InChIInChI=1S/C18H24N2O3/c1-22-13-17-11-16(19-23-17)12-20-9-7-15(8-10-20)18(21)14-5-3-2-4-6-14/h2-6,11,15,18,21H,7-10,12-13H2,1H3
InChIKeySATYDZJKGBYFKI-UHFFFAOYSA-N
XLogP2.77
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-ol
CID 66189969
1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-amine
CID 66189164
cyclopropyl-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrol-3-yl]methanol
CID 79103550
[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]-phenylmethanol
CID 111432875
1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine
CID 103976532
N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]methyl]propan-1-amine
CID 66191556
2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]oxyethanol
CID 82691821
1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidine-3-carboxylic acid
CID 66189756
phenyl-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanol
CID 110906747
[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]methanol
CID 66191154
[1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-phenylmethanol
CID 55702121
2-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperazin-1-yl]propanoic acid
CID 66189160

Frequently Asked Questions

What is the IUPAC name of [1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-phenylmethanol?
The IUPAC name of [1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-phenylmethanol (CID 139008684) is [1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-phenylmethanol.
What is the SMILES notation for [1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-phenylmethanol?
The canonical SMILES for [1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-phenylmethanol is COCc1cc(CN2CCC(C(O)c3ccccc3)CC2)no1.
What is the InChIKey of [1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-phenylmethanol?
The InChIKey is SATYDZJKGBYFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-22-13-17-11-16(19-23-17)12-20-9-7-15(8-10-20)18(21)14-5-3-2-4-6-14/h2-6,11,15,18,21H,7-10,12-13H2,1H3.
What are the key properties of [1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-phenylmethanol?
[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-phenylmethanol has a molecular weight of 316.40 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-phenylmethanol is sourced from PubChem (CID 139008684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).