2-[5-[1-(oxan-2-yloxy)ethyl]-1,2-oxazol-3-yl]propan-2-ol

C13H21NO4 — CID 10355007

IUPAC2-[5-[1-(oxan-2-yloxy)ethyl]-1,2-oxazol-3-yl]propan-2-ol
SMILESCC(OC1CCCCO1)c1cc(C(C)(C)O)no1
InChIInChI=1S/C13H21NO4/c1-9(17-12-6-4-5-7-16-12)10-8-11(14-18-10)13(2,3)15/h8-9,12,15H,4-7H2,1-3H3
InChIKeyYKUBXQXOWXQGQF-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.51
Rot. Bonds4

About 2-[5-[1-(oxan-2-yloxy)ethyl]-1,2-oxazol-3-yl]propan-2-ol

2-[5-[1-(oxan-2-yloxy)ethyl]-1,2-oxazol-3-yl]propan-2-ol (PubChem CID 10355007) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-[5-[1-(oxan-2-yloxy)ethyl]-1,2-oxazol-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[1-(oxan-2-yloxy)ethyl]-1,2-oxazol-3-yl]propan-2-ol
PubChem CID10355007
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-[5-[1-(oxan-2-yloxy)ethyl]-1,2-oxazol-3-yl]propan-2-ol
SMILESCC(OC1CCCCO1)c1cc(C(C)(C)O)no1
InChIInChI=1S/C13H21NO4/c1-9(17-12-6-4-5-7-16-12)10-8-11(14-18-10)13(2,3)15/h8-9,12,15H,4-7H2,1-3H3
InChIKeyYKUBXQXOWXQGQF-UHFFFAOYSA-N
XLogP2.51
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-[1-(oxan-2-yloxy)ethyl]-1,2-oxazol-3-yl]propan-2-ol with MolForge

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Related Compounds

3-[(3S)-2-methyl-3-(oxan-2-yloxy)butan-2-yl]-1,2-oxazol-5-amine
CID 59253241
2-[(1R)-1-(2-bromophenyl)ethoxy]oxane
CID 59069780
2-[1-(oxan-2-yloxy)ethyl]-1H-imidazole
CID 166757522
2-[(1R)-1-(3-chlorophenyl)ethoxy]oxane
CID 173259383
2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]propanamide
CID 71244440
S-[4-bromo-3-[1-(oxan-2-yloxy)ethyl]phenyl]thiohydroxylamine
CID 167090366
6-chloro-2-[1-(oxan-2-yloxy)ethyl]-3H-imidazo[4,5-c]pyridine
CID 129271140
2-methyl-N-[3-[2-methyl-3-(oxan-2-yloxy)butan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide
CID 59253279
2-methyl-N-[3-[2-methyl-3-[(2S)-oxan-2-yl]oxybutan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide
CID 67309167
5-iodo-3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole
CID 166757161
2-(oxan-2-yloxy)propanoic acid
CID 542280
(2S)-3-[3-(methoxymethyl)phenyl]-2-(oxan-2-yloxy)propan-1-ol
CID 15450471

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(oxan-2-yloxy)ethyl]-1,2-oxazol-3-yl]propan-2-ol?
The IUPAC name of 2-[5-[1-(oxan-2-yloxy)ethyl]-1,2-oxazol-3-yl]propan-2-ol (CID 10355007) is 2-[5-[1-(oxan-2-yloxy)ethyl]-1,2-oxazol-3-yl]propan-2-ol.
What is the SMILES notation for 2-[5-[1-(oxan-2-yloxy)ethyl]-1,2-oxazol-3-yl]propan-2-ol?
The canonical SMILES for 2-[5-[1-(oxan-2-yloxy)ethyl]-1,2-oxazol-3-yl]propan-2-ol is CC(OC1CCCCO1)c1cc(C(C)(C)O)no1.
What is the InChIKey of 2-[5-[1-(oxan-2-yloxy)ethyl]-1,2-oxazol-3-yl]propan-2-ol?
The InChIKey is YKUBXQXOWXQGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-9(17-12-6-4-5-7-16-12)10-8-11(14-18-10)13(2,3)15/h8-9,12,15H,4-7H2,1-3H3.
What are the key properties of 2-[5-[1-(oxan-2-yloxy)ethyl]-1,2-oxazol-3-yl]propan-2-ol?
2-[5-[1-(oxan-2-yloxy)ethyl]-1,2-oxazol-3-yl]propan-2-ol has a molecular weight of 255.31 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-(oxan-2-yloxy)ethyl]-1,2-oxazol-3-yl]propan-2-ol is sourced from PubChem (CID 10355007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).