(3-methoxy-1,2-oxazol-5-yl) hydrogen carbonate

C5H5NO5 — CID 66616886

IUPAC(3-methoxy-1,2-oxazol-5-yl) hydrogen carbonate
SMILESCOc1cc(OC(=O)O)on1
InChIInChI=1S/C5H5NO5/c1-9-3-2-4(11-6-3)10-5(7)8/h2H,1H3,(H,7,8)
InChIKeyOZPLVSFUCHPEOW-UHFFFAOYSA-N
MW159.10 g/mol
LogP0.74
Rot. Bonds2

About (3-methoxy-1,2-oxazol-5-yl) hydrogen carbonate

(3-methoxy-1,2-oxazol-5-yl) hydrogen carbonate (PubChem CID 66616886) has the molecular formula C5H5NO5 and a molecular weight of 159.10 g/mol. Its IUPAC name is (3-methoxy-1,2-oxazol-5-yl) hydrogen carbonate.

Molecular Properties

Compound Name(3-methoxy-1,2-oxazol-5-yl) hydrogen carbonate
PubChem CID66616886
Molecular FormulaC5H5NO5
Molecular Weight159.10 g/mol
Exact Mass159.02
IUPAC Name(3-methoxy-1,2-oxazol-5-yl) hydrogen carbonate
SMILESCOc1cc(OC(=O)O)on1
InChIInChI=1S/C5H5NO5/c1-9-3-2-4(11-6-3)10-5(7)8/h2H,1H3,(H,7,8)
InChIKeyOZPLVSFUCHPEOW-UHFFFAOYSA-N
XLogP0.74
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.10
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-propyl-1,2-oxazol-5-yl) hydrogen carbonate
CID 118467299
2-amino-2-(3-methoxy-1,2-oxazol-5-yl)acetic acid
CID 14238404
methyl 2-(3-methoxy-1,2-oxazol-5-yl)-2-oxoacetate
CID 15923592
2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]acetic acid
CID 120513531
3-methoxy-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 90573752
3-methoxy-N,N-di(propan-2-yl)-1,2-oxazole-5-carboxamide
CID 90573695
chloro-(3-methoxy-1,2-oxazol-5-yl)methanol
CID 130283751
2-[4-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1H-pyrazol-5-yl]acetic acid
CID 96594044
6-(3-methoxy-1,2-oxazol-5-yl)-2-methylpyridine-3-carboxylic acid
CID 96597337
[1-hydroxy-3-(3-methoxy-1,2-oxazol-5-yl)-1-phosphonopropyl]phosphonic acid
CID 21284775
3-[(3-methoxy-1,2-oxazole-5-carbonyl)-propan-2-ylamino]propanoic acid
CID 120520012
2-(3-methoxy-1,2-oxazol-5-yl)acetaldehyde
CID 162341476

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1,2-oxazol-5-yl) hydrogen carbonate?
The IUPAC name of (3-methoxy-1,2-oxazol-5-yl) hydrogen carbonate (CID 66616886) is (3-methoxy-1,2-oxazol-5-yl) hydrogen carbonate.
What is the SMILES notation for (3-methoxy-1,2-oxazol-5-yl) hydrogen carbonate?
The canonical SMILES for (3-methoxy-1,2-oxazol-5-yl) hydrogen carbonate is COc1cc(OC(=O)O)on1.
What is the InChIKey of (3-methoxy-1,2-oxazol-5-yl) hydrogen carbonate?
The InChIKey is OZPLVSFUCHPEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO5/c1-9-3-2-4(11-6-3)10-5(7)8/h2H,1H3,(H,7,8).
What are the key properties of (3-methoxy-1,2-oxazol-5-yl) hydrogen carbonate?
(3-methoxy-1,2-oxazol-5-yl) hydrogen carbonate has a molecular weight of 159.10 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1,2-oxazol-5-yl) hydrogen carbonate is sourced from PubChem (CID 66616886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).