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

C12H19NO3 — CID 115083248

IUPAC2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]propan-1-ol
SMILESCC(CO)c1coc(CC2CCCCO2)n1
InChIInChI=1S/C12H19NO3/c1-9(7-14)11-8-16-12(13-11)6-10-4-2-3-5-15-10/h8-10,14H,2-7H2,1H3
InChIKeyBXKKVUCIRWECJP-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.88
Rot. Bonds4

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

2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]propan-1-ol (PubChem CID 115083248) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]propan-1-ol
PubChem CID115083248
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]propan-1-ol
SMILESCC(CO)c1coc(CC2CCCCO2)n1
InChIInChI=1S/C12H19NO3/c1-9(7-14)11-8-16-12(13-11)6-10-4-2-3-5-15-10/h8-10,14H,2-7H2,1H3
InChIKeyBXKKVUCIRWECJP-UHFFFAOYSA-N
XLogP1.88
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-cyclopentyl-1,3-oxazol-4-yl)propan-1-ol
CID 115084623
1-[2-(oxolan-2-ylmethyl)-1,3-oxazol-4-yl]ethanone
CID 115083047
2-[2-[(1,1-dioxothiolan-3-yl)methyl]-1,3-oxazol-4-yl]propan-1-ol
CID 115082327
2-[2-(oxan-2-ylmethyl)-1,3-thiazol-5-yl]propan-1-ol
CID 115090950
N-methyl-2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]ethanamine
CID 115083290
1-[2-(oxan-4-ylmethyl)-1,3-oxazol-4-yl]ethanol
CID 115082429
3-methyl-1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 113391746
N-methyl-1-[2-(oxan-2-ylmethyl)-1,3-oxazol-5-yl]ethanamine
CID 115086199
2-(oxan-2-ylmethyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136964507
3-(oxolan-2-ylmethyl)-4-propan-2-yl-1,2,4-triazole
CID 115393989
[(2S)-oxan-2-yl]methanol
CID 6950811
[5-(oxan-2-ylmethyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 115396838

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]propan-1-ol?
The IUPAC name of 2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]propan-1-ol (CID 115083248) is 2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]propan-1-ol.
What is the SMILES notation for 2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]propan-1-ol?
The canonical SMILES for 2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]propan-1-ol is CC(CO)c1coc(CC2CCCCO2)n1.
What is the InChIKey of 2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]propan-1-ol?
The InChIKey is BXKKVUCIRWECJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9(7-14)11-8-16-12(13-11)6-10-4-2-3-5-15-10/h8-10,14H,2-7H2,1H3.
What are the key properties of 2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]propan-1-ol?
2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]propan-1-ol has a molecular weight of 225.29 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]propan-1-ol is sourced from PubChem (CID 115083248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).