2-[5-chloro-6-(oxolan-2-ylmethoxy)-1,2-benzoxazol-3-yl]ethanol

C14H16ClNO4 — CID 82027276

IUPAC2-[5-chloro-6-(oxolan-2-ylmethoxy)-1,2-benzoxazol-3-yl]ethanol
SMILESOCCc1noc2cc(OCC3CCCO3)c(Cl)cc12
InChIInChI=1S/C14H16ClNO4/c15-11-6-10-12(3-4-17)16-20-13(10)7-14(11)19-8-9-2-1-5-18-9/h6-7,9,17H,1-5,8H2
InChIKeyCPYPCVUIRLEYGU-UHFFFAOYSA-N
MW297.74 g/mol
LogP2.57
Rot. Bonds5

About 2-[5-chloro-6-(oxolan-2-ylmethoxy)-1,2-benzoxazol-3-yl]ethanol

2-[5-chloro-6-(oxolan-2-ylmethoxy)-1,2-benzoxazol-3-yl]ethanol (PubChem CID 82027276) has the molecular formula C14H16ClNO4 and a molecular weight of 297.74 g/mol. Its IUPAC name is 2-[5-chloro-6-(oxolan-2-ylmethoxy)-1,2-benzoxazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-chloro-6-(oxolan-2-ylmethoxy)-1,2-benzoxazol-3-yl]ethanol
PubChem CID82027276
Molecular FormulaC14H16ClNO4
Molecular Weight297.74 g/mol
Exact Mass297.08
IUPAC Name2-[5-chloro-6-(oxolan-2-ylmethoxy)-1,2-benzoxazol-3-yl]ethanol
SMILESOCCc1noc2cc(OCC3CCCO3)c(Cl)cc12
InChIInChI=1S/C14H16ClNO4/c15-11-6-10-12(3-4-17)16-20-13(10)7-14(11)19-8-9-2-1-5-18-9/h6-7,9,17H,1-5,8H2
InChIKeyCPYPCVUIRLEYGU-UHFFFAOYSA-N
XLogP2.57
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,4,5-trichlorophenoxy)methyl]oxolane
CID 112779327
6-chloro-4-oxo-7-(oxolan-2-ylmethoxy)chromene-3-carbaldehyde
CID 82027210
3-(2-chloroethyl)-7-methyl-6-(oxolan-2-ylmethoxy)-1,2-benzoxazole
CID 82027280
2-(5-chloro-6-propoxy-1,2-benzoxazol-3-yl)ethanethiol
CID 39097993
2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 71627927
(2S)-2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 97170620
3-[5-chloro-6-[(6-methylpyridazin-3-yl)methoxy]-1,2-benzoxazol-3-yl]propanoic acid
CID 121415162
(1S)-1-[3-chloro-4-(oxan-2-ylmethoxy)phenyl]ethanol
CID 113389965
1-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(2-hydroxyethyl)urea
CID 95265922
[5-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazol-3-yl]methanol
CID 54847413
[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanol
CID 28562688
5-chloro-3-fluoro-2-(oxolan-2-ylmethoxy)pyridine
CID 79728314

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-6-(oxolan-2-ylmethoxy)-1,2-benzoxazol-3-yl]ethanol?
The IUPAC name of 2-[5-chloro-6-(oxolan-2-ylmethoxy)-1,2-benzoxazol-3-yl]ethanol (CID 82027276) is 2-[5-chloro-6-(oxolan-2-ylmethoxy)-1,2-benzoxazol-3-yl]ethanol.
What is the SMILES notation for 2-[5-chloro-6-(oxolan-2-ylmethoxy)-1,2-benzoxazol-3-yl]ethanol?
The canonical SMILES for 2-[5-chloro-6-(oxolan-2-ylmethoxy)-1,2-benzoxazol-3-yl]ethanol is OCCc1noc2cc(OCC3CCCO3)c(Cl)cc12.
What is the InChIKey of 2-[5-chloro-6-(oxolan-2-ylmethoxy)-1,2-benzoxazol-3-yl]ethanol?
The InChIKey is CPYPCVUIRLEYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4/c15-11-6-10-12(3-4-17)16-20-13(10)7-14(11)19-8-9-2-1-5-18-9/h6-7,9,17H,1-5,8H2.
What are the key properties of 2-[5-chloro-6-(oxolan-2-ylmethoxy)-1,2-benzoxazol-3-yl]ethanol?
2-[5-chloro-6-(oxolan-2-ylmethoxy)-1,2-benzoxazol-3-yl]ethanol has a molecular weight of 297.74 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-6-(oxolan-2-ylmethoxy)-1,2-benzoxazol-3-yl]ethanol is sourced from PubChem (CID 82027276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).