1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-ol

C11H17NO3 — CID 115082297

IUPAC1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-ol
SMILESCC(O)Cc1coc(CC2CCOC2)n1
InChIInChI=1S/C11H17NO3/c1-8(13)4-10-7-15-11(12-10)5-9-2-3-14-6-9/h7-9,13H,2-6H2,1H3
InChIKeyQXNHESSANMDJSC-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.18
Rot. Bonds4

About 1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-ol

1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-ol (PubChem CID 115082297) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-ol
PubChem CID115082297
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-ol
SMILESCC(O)Cc1coc(CC2CCOC2)n1
InChIInChI=1S/C11H17NO3/c1-8(13)4-10-7-15-11(12-10)5-9-2-3-14-6-9/h7-9,13H,2-6H2,1H3
InChIKeyQXNHESSANMDJSC-UHFFFAOYSA-N
XLogP1.18
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-one
CID 115082311
1-[2-(oxan-4-ylmethyl)-1,3-oxazol-4-yl]ethanol
CID 115082429
N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]ethanamine
CID 115082353
1-[2-(2-methylpropyl)-1,3-oxazol-4-yl]propan-2-ol
CID 115084190
2-(oxolan-3-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 115082408
1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 115077254
N-methyl-3-[2-(oxan-3-ylmethyl)-1,3-oxazol-4-yl]propan-1-amine
CID 115083477
N-methyl-3-[2-(oxan-4-ylmethyl)-1,3-oxazol-4-yl]propan-1-amine
CID 115082555
1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115077373
N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 115087995
(1S)-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanol
CID 103431590
2-[[4-(2-hydroxypropyl)-1,3-oxazol-2-yl]methyl]phenol
CID 115083902

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-ol?
The IUPAC name of 1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-ol (CID 115082297) is 1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-ol.
What is the SMILES notation for 1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-ol?
The canonical SMILES for 1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-ol is CC(O)Cc1coc(CC2CCOC2)n1.
What is the InChIKey of 1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-ol?
The InChIKey is QXNHESSANMDJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-8(13)4-10-7-15-11(12-10)5-9-2-3-14-6-9/h7-9,13H,2-6H2,1H3.
What are the key properties of 1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-ol?
1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-ol has a molecular weight of 211.26 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-ol is sourced from PubChem (CID 115082297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).