chloro-(3-methoxy-1,2-oxazol-5-yl)methanol

C5H6ClNO3 — CID 130283751

IUPACchloro-(3-methoxy-1,2-oxazol-5-yl)methanol
SMILESCOc1cc(C(O)Cl)on1
InChIInChI=1S/C5H6ClNO3/c1-9-4-2-3(5(6)8)10-7-4/h2,5,8H,1H3
InChIKeyOHXXMDUCDZQHFD-UHFFFAOYSA-N
MW163.56 g/mol
LogP0.91
Rot. Bonds2

About chloro-(3-methoxy-1,2-oxazol-5-yl)methanol

chloro-(3-methoxy-1,2-oxazol-5-yl)methanol (PubChem CID 130283751) has the molecular formula C5H6ClNO3 and a molecular weight of 163.56 g/mol. Its IUPAC name is chloro-(3-methoxy-1,2-oxazol-5-yl)methanol.

Molecular Properties

Compound Namechloro-(3-methoxy-1,2-oxazol-5-yl)methanol
PubChem CID130283751
Molecular FormulaC5H6ClNO3
Molecular Weight163.56 g/mol
Exact Mass163.00
IUPAC Namechloro-(3-methoxy-1,2-oxazol-5-yl)methanol
SMILESCOc1cc(C(O)Cl)on1
InChIInChI=1S/C5H6ClNO3/c1-9-4-2-3(5(6)8)10-7-4/h2,5,8H,1H3
InChIKeyOHXXMDUCDZQHFD-UHFFFAOYSA-N
XLogP0.91
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.56
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(3-methoxy-1,2-oxazol-5-yl)acetic acid
CID 14238404
2-(3-methoxy-1,2-oxazol-5-yl)propanenitrile
CID 138470279
ethyl 2-(4-chloro-3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoate;ethyl 2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoate
CID 158866191
5-(2-bromo-1-nitrosoethyl)-3-methoxy-1,2-oxazole
CID 54126789
3-methoxy-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 90573752
3-(difluoromethyl)-5-methyl-1,2-oxazole;ethane;3-methoxy-5-methyl-1,2-oxazole
CID 177243667
(3-methoxy-1,2-oxazol-5-yl) hydrogen carbonate
CID 66616886
3-methoxy-N,N-di(propan-2-yl)-1,2-oxazole-5-carboxamide
CID 90573695
methyl 2-(3-methoxy-1,2-oxazol-5-yl)-2-oxoacetate
CID 15923592
6-(3-methoxy-1,2-oxazol-5-yl)-2-methylpyridine-3-carboxylic acid
CID 96597337
2-(3-methoxy-1,2-oxazol-5-yl)acetaldehyde
CID 162341476
(2R)-2-hydroxy-4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 137394958

Frequently Asked Questions

What is the IUPAC name of chloro-(3-methoxy-1,2-oxazol-5-yl)methanol?
The IUPAC name of chloro-(3-methoxy-1,2-oxazol-5-yl)methanol (CID 130283751) is chloro-(3-methoxy-1,2-oxazol-5-yl)methanol.
What is the SMILES notation for chloro-(3-methoxy-1,2-oxazol-5-yl)methanol?
The canonical SMILES for chloro-(3-methoxy-1,2-oxazol-5-yl)methanol is COc1cc(C(O)Cl)on1.
What is the InChIKey of chloro-(3-methoxy-1,2-oxazol-5-yl)methanol?
The InChIKey is OHXXMDUCDZQHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNO3/c1-9-4-2-3(5(6)8)10-7-4/h2,5,8H,1H3.
What are the key properties of chloro-(3-methoxy-1,2-oxazol-5-yl)methanol?
chloro-(3-methoxy-1,2-oxazol-5-yl)methanol has a molecular weight of 163.56 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(3-methoxy-1,2-oxazol-5-yl)methanol is sourced from PubChem (CID 130283751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).