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

C10H15NO3 — CID 115093628

IUPAC[5-(oxan-3-ylmethyl)-1,2-oxazol-4-yl]methanol
SMILESOCc1cnoc1CC1CCCOC1
InChIInChI=1S/C10H15NO3/c12-6-9-5-11-14-10(9)4-8-2-1-3-13-7-8/h5,8,12H,1-4,6-7H2
InChIKeyUMICBIDMYBYPQN-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.14
Rot. Bonds3

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

[5-(oxan-3-ylmethyl)-1,2-oxazol-4-yl]methanol (PubChem CID 115093628) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is [5-(oxan-3-ylmethyl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(oxan-3-ylmethyl)-1,2-oxazol-4-yl]methanol
PubChem CID115093628
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name[5-(oxan-3-ylmethyl)-1,2-oxazol-4-yl]methanol
SMILESOCc1cnoc1CC1CCCOC1
InChIInChI=1S/C10H15NO3/c12-6-9-5-11-14-10(9)4-8-2-1-3-13-7-8/h5,8,12H,1-4,6-7H2
InChIKeyUMICBIDMYBYPQN-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

[5-(oxolan-3-ylmethyl)-1,2-oxazol-3-yl]methanol
CID 115093911
1-[2-(oxan-3-ylmethyl)-1,3-thiazol-5-yl]propan-2-one
CID 115091092
[1-(oxan-3-ylmethyl)pyrazol-4-yl]methanol
CID 121207451
[5-[(oxan-3-ylmethylamino)methyl]furan-2-yl]methanol
CID 64590655
[3-(oxan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
CID 117149591
5-bromo-1-(oxan-3-ylmethyl)pyrazol-4-ol
CID 117232366
2-[2-(oxan-3-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde
CID 115091091
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
7-bromo-3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine
CID 117144283
[5-(2-methoxyethyl)-1,2-oxazol-4-yl]methanol
CID 115093310
3-(oxan-3-ylmethyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 115080133
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(oxan-3-yl)methanamine
CID 103275367

Frequently Asked Questions

What is the IUPAC name of [5-(oxan-3-ylmethyl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [5-(oxan-3-ylmethyl)-1,2-oxazol-4-yl]methanol (CID 115093628) is [5-(oxan-3-ylmethyl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [5-(oxan-3-ylmethyl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [5-(oxan-3-ylmethyl)-1,2-oxazol-4-yl]methanol is OCc1cnoc1CC1CCCOC1.
What is the InChIKey of [5-(oxan-3-ylmethyl)-1,2-oxazol-4-yl]methanol?
The InChIKey is UMICBIDMYBYPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c12-6-9-5-11-14-10(9)4-8-2-1-3-13-7-8/h5,8,12H,1-4,6-7H2.
What are the key properties of [5-(oxan-3-ylmethyl)-1,2-oxazol-4-yl]methanol?
[5-(oxan-3-ylmethyl)-1,2-oxazol-4-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 [5-(oxan-3-ylmethyl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 115093628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).