[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methanol

C8H11NO3 — CID 45099358

IUPAC[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methanol
SMILESOCc1cc(C2CCOC2)no1
InChIInChI=1S/C8H11NO3/c10-4-7-3-8(9-12-7)6-1-2-11-5-6/h3,6,10H,1-2,4-5H2
InChIKeyNGGNYSKGBUYBQU-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.67
Rot. Bonds2

About [3-(oxolan-3-yl)-1,2-oxazol-5-yl]methanol

[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methanol (PubChem CID 45099358) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is [3-(oxolan-3-yl)-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methanol
PubChem CID45099358
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methanol
SMILESOCc1cc(C2CCOC2)no1
InChIInChI=1S/C8H11NO3/c10-4-7-3-8(9-12-7)6-1-2-11-5-6/h3,6,10H,1-2,4-5H2
InChIKeyNGGNYSKGBUYBQU-UHFFFAOYSA-N
XLogP0.67
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-piperidin-4-yl-1,2-oxazol-5-yl)methanol
CID 138046457
[5-(oxolan-3-ylmethyl)-1,2-oxazol-3-yl]methanol
CID 115093911
[3-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 110234801
N-[(2S)-1-methoxypropan-2-yl]-4-[[3-[(3R)-oxolan-3-yl]-1,2-oxazol-5-yl]methyl]piperidine-4-carboxamide
CID 92582042
N-[(2R)-1-methoxypropan-2-yl]-4-[[3-[(3S)-oxolan-3-yl]-1,2-oxazol-5-yl]methyl]piperidine-4-carboxamide
CID 92582039
3-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]-N-prop-2-ynylpiperidine-3-carboxamide
CID 110234794
N-(1-methoxypropan-2-yl)-4-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride
CID 175652751
2-methyl-2-(oxan-4-ylsulfanyl)-N-[3-(oxolan-3-yl)-1,2-oxazol-5-yl]propanamide
CID 90801928
3-(oxolan-3-yl)-1,2-oxazole
CID 114763668
2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethanol
CID 126848755
2-[[4-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
CID 118781186
2-(3-cyclopentyl-1,2-oxazol-5-yl)ethanamine
CID 82408902

Frequently Asked Questions

What is the IUPAC name of [3-(oxolan-3-yl)-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-(oxolan-3-yl)-1,2-oxazol-5-yl]methanol (CID 45099358) is [3-(oxolan-3-yl)-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-(oxolan-3-yl)-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-(oxolan-3-yl)-1,2-oxazol-5-yl]methanol is OCc1cc(C2CCOC2)no1.
What is the InChIKey of [3-(oxolan-3-yl)-1,2-oxazol-5-yl]methanol?
The InChIKey is NGGNYSKGBUYBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c10-4-7-3-8(9-12-7)6-1-2-11-5-6/h3,6,10H,1-2,4-5H2.
What are the key properties of [3-(oxolan-3-yl)-1,2-oxazol-5-yl]methanol?
[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methanol has a molecular weight of 169.18 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxolan-3-yl)-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 45099358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).