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

C9H13NO3 — CID 115093911

IUPAC[5-(oxolan-3-ylmethyl)-1,2-oxazol-3-yl]methanol
SMILESOCc1cc(CC2CCOC2)on1
InChIInChI=1S/C9H13NO3/c11-5-8-4-9(13-10-8)3-7-1-2-12-6-7/h4,7,11H,1-3,5-6H2
InChIKeyDVFZPPFAIKIPCC-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.75
Rot. Bonds3

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

[5-(oxolan-3-ylmethyl)-1,2-oxazol-3-yl]methanol (PubChem CID 115093911) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is [5-(oxolan-3-ylmethyl)-1,2-oxazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(oxolan-3-ylmethyl)-1,2-oxazol-3-yl]methanol
PubChem CID115093911
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name[5-(oxolan-3-ylmethyl)-1,2-oxazol-3-yl]methanol
SMILESOCc1cc(CC2CCOC2)on1
InChIInChI=1S/C9H13NO3/c11-5-8-4-9(13-10-8)3-7-1-2-12-6-7/h4,7,11H,1-3,5-6H2
InChIKeyDVFZPPFAIKIPCC-UHFFFAOYSA-N
XLogP0.75
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methanol
CID 45099358
[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol
CID 115093923
[5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol
CID 115094198
[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 139022623
[5-(oxan-3-ylmethyl)-1,2-oxazol-4-yl]methanol
CID 115093628
[1-(oxolan-3-ylmethyl)triazol-4-yl]methanol
CID 62400526
[3-(oxolan-3-ylmethyl)-1H-1,2,4-triazol-5-yl]methanol
CID 103988254
[5-[(1,1-dioxothiolan-3-yl)methyl]-1,2-oxazol-3-yl]methanamine
CID 115093912
4-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 177135048
2,4-difluoro-5-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 103985869
1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 115077254
5-tert-butyl-3-(oxolan-3-ylmethyl)pyridazine
CID 157325595

Frequently Asked Questions

What is the IUPAC name of [5-(oxolan-3-ylmethyl)-1,2-oxazol-3-yl]methanol?
The IUPAC name of [5-(oxolan-3-ylmethyl)-1,2-oxazol-3-yl]methanol (CID 115093911) is [5-(oxolan-3-ylmethyl)-1,2-oxazol-3-yl]methanol.
What is the SMILES notation for [5-(oxolan-3-ylmethyl)-1,2-oxazol-3-yl]methanol?
The canonical SMILES for [5-(oxolan-3-ylmethyl)-1,2-oxazol-3-yl]methanol is OCc1cc(CC2CCOC2)on1.
What is the InChIKey of [5-(oxolan-3-ylmethyl)-1,2-oxazol-3-yl]methanol?
The InChIKey is DVFZPPFAIKIPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c11-5-8-4-9(13-10-8)3-7-1-2-12-6-7/h4,7,11H,1-3,5-6H2.
What are the key properties of [5-(oxolan-3-ylmethyl)-1,2-oxazol-3-yl]methanol?
[5-(oxolan-3-ylmethyl)-1,2-oxazol-3-yl]methanol has a molecular weight of 183.21 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(oxolan-3-ylmethyl)-1,2-oxazol-3-yl]methanol is sourced from PubChem (CID 115093911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).