1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]propan-2-one

C14H22N2O3 — CID 79535895

IUPAC1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]propan-2-one
SMILESCOCc1cc(CN2CCCCC2CC(C)=O)no1
InChIInChI=1S/C14H22N2O3/c1-11(17)7-13-5-3-4-6-16(13)9-12-8-14(10-18-2)19-15-12/h8,13H,3-7,9-10H2,1-2H3
InChIKeyYVMHPZGKEXWWHH-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.15
Rot. Bonds6

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

1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]propan-2-one (PubChem CID 79535895) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]propan-2-one
PubChem CID79535895
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]propan-2-one
SMILESCOCc1cc(CN2CCCCC2CC(C)=O)no1
InChIInChI=1S/C14H22N2O3/c1-11(17)7-13-5-3-4-6-16(13)9-12-8-14(10-18-2)19-15-12/h8,13H,3-7,9-10H2,1-2H3
InChIKeyYVMHPZGKEXWWHH-UHFFFAOYSA-N
XLogP2.15
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]acetic acid
CID 66191336
1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]ethanamine
CID 66191145
1-[1-[(1-methyltriazol-4-yl)methyl]piperidin-2-yl]propan-2-one
CID 107043029
2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 79535849
1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidine-3-carboxylic acid
CID 66189756
1-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]propan-2-one
CID 79539105
1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-ol
CID 66189969
1-[1-(quinolin-2-ylmethyl)piperidin-2-yl]propan-2-one
CID 79538611
4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]thiomorpholine-3-carboxylic acid
CID 82906606
[2-(bromomethyl)piperidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 80659175
1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-amine
CID 66189164
N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62417960

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]propan-2-one (CID 79535895) is 1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]propan-2-one is COCc1cc(CN2CCCCC2CC(C)=O)no1.
What is the InChIKey of 1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]propan-2-one?
The InChIKey is YVMHPZGKEXWWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-11(17)7-13-5-3-4-6-16(13)9-12-8-14(10-18-2)19-15-12/h8,13H,3-7,9-10H2,1-2H3.
What are the key properties of 1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]propan-2-one?
1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]propan-2-one has a molecular weight of 266.34 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]propan-2-one is sourced from PubChem (CID 79535895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).