2-hydroxyethyl 2-oxo-3H-1,3-benzoxazole-6-carboxylate

C10H9NO5 — CID 116862950

IUPAC2-hydroxyethyl 2-oxo-3H-1,3-benzoxazole-6-carboxylate
SMILESO=C(OCCO)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C10H9NO5/c12-3-4-15-9(13)6-1-2-7-8(5-6)16-10(14)11-7/h1-2,5,12H,3-4H2,(H,11,14)
InChIKeyXFPCXBAHNMLQHS-UHFFFAOYSA-N
MW223.18 g/mol
LogP0.27
Rot. Bonds3

About 2-hydroxyethyl 2-oxo-3H-1,3-benzoxazole-6-carboxylate

2-hydroxyethyl 2-oxo-3H-1,3-benzoxazole-6-carboxylate (PubChem CID 116862950) has the molecular formula C10H9NO5 and a molecular weight of 223.18 g/mol. Its IUPAC name is 2-hydroxyethyl 2-oxo-3H-1,3-benzoxazole-6-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 2-oxo-3H-1,3-benzoxazole-6-carboxylate
PubChem CID116862950
Molecular FormulaC10H9NO5
Molecular Weight223.18 g/mol
Exact Mass223.05
IUPAC Name2-hydroxyethyl 2-oxo-3H-1,3-benzoxazole-6-carboxylate
SMILESO=C(OCCO)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C10H9NO5/c12-3-4-15-9(13)6-1-2-7-8(5-6)16-10(14)11-7/h1-2,5,12H,3-4H2,(H,11,14)
InChIKeyXFPCXBAHNMLQHS-UHFFFAOYSA-N
XLogP0.27
TPSA92.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,2,4-benzotriazin-3-ylmethyl 2-oxo-3H-1,3-benzoxazole-6-carboxylate
CID 154795981
2,2-dimethyl-3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propanoic acid
CID 116918130
6-(3-chloropropanoyl)-3H-1,3-benzoxazol-2-one
CID 11790876
6-(2,2-dibromoacetyl)-3H-1,3-benzoxazol-2-one
CID 116827127
6-(4-methoxybenzoyl)-3H-1,3-benzoxazol-2-one
CID 3059536
6-(4,4-dimethylpentanoyl)-3H-1,3-benzoxazol-2-one
CID 114212569
6-[2-(aminomethyl)butanoyl]-3H-1,3-benzoxazol-2-one
CID 116923218
2-[2-oxo-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethoxy]ethylcarbamic acid
CID 175287249
6-[2-(2,2,2-trifluoroethoxy)acetyl]-3H-1,3-benzoxazol-2-one
CID 103206533
methyl 3-[(2-oxo-3H-1,3-benzoxazole-6-carbonyl)amino]benzoate
CID 110766421
4-(2-oxo-3H-1,3-benzoxazol-6-yl)benzoic acid
CID 22730479
6-[2-(propan-2-ylamino)acetyl]-3H-1,3-benzoxazol-2-one
CID 13038881

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-oxo-3H-1,3-benzoxazole-6-carboxylate?
The IUPAC name of 2-hydroxyethyl 2-oxo-3H-1,3-benzoxazole-6-carboxylate (CID 116862950) is 2-hydroxyethyl 2-oxo-3H-1,3-benzoxazole-6-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 2-oxo-3H-1,3-benzoxazole-6-carboxylate?
The canonical SMILES for 2-hydroxyethyl 2-oxo-3H-1,3-benzoxazole-6-carboxylate is O=C(OCCO)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 2-hydroxyethyl 2-oxo-3H-1,3-benzoxazole-6-carboxylate?
The InChIKey is XFPCXBAHNMLQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO5/c12-3-4-15-9(13)6-1-2-7-8(5-6)16-10(14)11-7/h1-2,5,12H,3-4H2,(H,11,14).
What are the key properties of 2-hydroxyethyl 2-oxo-3H-1,3-benzoxazole-6-carboxylate?
2-hydroxyethyl 2-oxo-3H-1,3-benzoxazole-6-carboxylate has a molecular weight of 223.18 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-oxo-3H-1,3-benzoxazole-6-carboxylate is sourced from PubChem (CID 116862950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).