[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]methanol

C11H18N2O3 — CID 66191154

IUPAC[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]methanol
SMILESCOCc1cc(CN2CCC(CO)C2)no1
InChIInChI=1S/C11H18N2O3/c1-15-8-11-4-10(12-16-11)6-13-3-2-9(5-13)7-14/h4,9,14H,2-3,5-8H2,1H3
InChIKeyDAPQLTQNSHJODA-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.64
Rot. Bonds5

About [1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]methanol

[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]methanol (PubChem CID 66191154) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is [1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]methanol
PubChem CID66191154
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]methanol
SMILESCOCc1cc(CN2CCC(CO)C2)no1
InChIInChI=1S/C11H18N2O3/c1-15-8-11-4-10(12-16-11)6-13-3-2-9(5-13)7-14/h4,9,14H,2-3,5-8H2,1H3
InChIKeyDAPQLTQNSHJODA-UHFFFAOYSA-N
XLogP0.64
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-3-yl]methanol
CID 66190165
2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]ethanol
CID 114799759
1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-amine
CID 66189164
1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-ol
CID 66189969
1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidine-3-carboxylic acid
CID 66189756
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-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine
CID 103976532
[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]cyclohexyl]methanol
CID 106825219
[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-phenylmethanol
CID 139008684
[1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]methanol
CID 62372265
2-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1,4-diazepan-1-yl]acetic acid
CID 66189555

Frequently Asked Questions

What is the IUPAC name of [1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]methanol (CID 66191154) is [1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]methanol is COCc1cc(CN2CCC(CO)C2)no1.
What is the InChIKey of [1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]methanol?
The InChIKey is DAPQLTQNSHJODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-15-8-11-4-10(12-16-11)6-13-3-2-9(5-13)7-14/h4,9,14H,2-3,5-8H2,1H3.
What are the key properties of [1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]methanol?
[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]methanol has a molecular weight of 226.28 g/mol, XLogP of 0.64, 5 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]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 66191154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).