[2-(oxan-4-ylmethyl)-1,3-oxazol-5-yl]methanol

C10H15NO3 — CID 115085348

IUPAC[2-(oxan-4-ylmethyl)-1,3-oxazol-5-yl]methanol
SMILESOCc1cnc(CC2CCOCC2)o1
InChIInChI=1S/C10H15NO3/c12-7-9-6-11-10(14-9)5-8-1-3-13-4-2-8/h6,8,12H,1-5,7H2
InChIKeyCJJDBYNDDKGCJW-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.14
Rot. Bonds3

About [2-(oxan-4-ylmethyl)-1,3-oxazol-5-yl]methanol

[2-(oxan-4-ylmethyl)-1,3-oxazol-5-yl]methanol (PubChem CID 115085348) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is [2-(oxan-4-ylmethyl)-1,3-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(oxan-4-ylmethyl)-1,3-oxazol-5-yl]methanol
PubChem CID115085348
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name[2-(oxan-4-ylmethyl)-1,3-oxazol-5-yl]methanol
SMILESOCc1cnc(CC2CCOCC2)o1
InChIInChI=1S/C10H15NO3/c12-7-9-6-11-10(14-9)5-8-1-3-13-4-2-8/h6,8,12H,1-5,7H2
InChIKeyCJJDBYNDDKGCJW-UHFFFAOYSA-N
XLogP1.14
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclopropylmethyl)-1,3-oxazol-5-yl]methanol
CID 165442391
[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]methanol
CID 115085355
N-methyl-3-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine
CID 115085315
[5-(oxan-4-yl)-1,3-oxazol-2-yl]methanol
CID 115016406
[2-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]methanol
CID 115085964
2-(chloromethyl)-5-(cycloheptylmethyl)-1,3-oxazole
CID 114459222
2-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazol-5-yl]ethanol
CID 115085223
2-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]ethanamine
CID 115085458
2-(oxan-4-ylmethyl)-1,3,4-oxadiazole
CID 141181283
[2-(methoxymethyl)-1,3-oxazol-5-yl]methanol
CID 165441990
1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]propan-2-one
CID 115085402
2-(oxan-4-ylmethyl)pyrimidine
CID 67123778

Frequently Asked Questions

What is the IUPAC name of [2-(oxan-4-ylmethyl)-1,3-oxazol-5-yl]methanol?
The IUPAC name of [2-(oxan-4-ylmethyl)-1,3-oxazol-5-yl]methanol (CID 115085348) is [2-(oxan-4-ylmethyl)-1,3-oxazol-5-yl]methanol.
What is the SMILES notation for [2-(oxan-4-ylmethyl)-1,3-oxazol-5-yl]methanol?
The canonical SMILES for [2-(oxan-4-ylmethyl)-1,3-oxazol-5-yl]methanol is OCc1cnc(CC2CCOCC2)o1.
What is the InChIKey of [2-(oxan-4-ylmethyl)-1,3-oxazol-5-yl]methanol?
The InChIKey is CJJDBYNDDKGCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c12-7-9-6-11-10(14-9)5-8-1-3-13-4-2-8/h6,8,12H,1-5,7H2.
What are the key properties of [2-(oxan-4-ylmethyl)-1,3-oxazol-5-yl]methanol?
[2-(oxan-4-ylmethyl)-1,3-oxazol-5-yl]methanol has a molecular weight of 197.23 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxan-4-ylmethyl)-1,3-oxazol-5-yl]methanol is sourced from PubChem (CID 115085348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).