5-methoxy-1,3-benzoxazole-2-carboxylic acid

C9H7NO4 — CID 53408299

IUPAC5-methoxy-1,3-benzoxazole-2-carboxylic acid
SMILESCOc1ccc2oc(C(=O)O)nc2c1
InChIInChI=1S/C9H7NO4/c1-13-5-2-3-7-6(4-5)10-8(14-7)9(11)12/h2-4H,1H3,(H,11,12)
InChIKeySNQUKJWKYRHONV-UHFFFAOYSA-N
MW193.16 g/mol
LogP1.53
Rot. Bonds2

About 5-methoxy-1,3-benzoxazole-2-carboxylic acid

5-methoxy-1,3-benzoxazole-2-carboxylic acid (PubChem CID 53408299) has the molecular formula C9H7NO4 and a molecular weight of 193.16 g/mol. Its IUPAC name is 5-methoxy-1,3-benzoxazole-2-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-1,3-benzoxazole-2-carboxylic acid
PubChem CID53408299
Molecular FormulaC9H7NO4
Molecular Weight193.16 g/mol
Exact Mass193.04
IUPAC Name5-methoxy-1,3-benzoxazole-2-carboxylic acid
SMILESCOc1ccc2oc(C(=O)O)nc2c1
InChIInChI=1S/C9H7NO4/c1-13-5-2-3-7-6(4-5)10-8(14-7)9(11)12/h2-4H,1H3,(H,11,12)
InChIKeySNQUKJWKYRHONV-UHFFFAOYSA-N
XLogP1.53
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,3-benzoxazole-2-carboxylic acid?
The IUPAC name of 5-methoxy-1,3-benzoxazole-2-carboxylic acid (CID 53408299) is 5-methoxy-1,3-benzoxazole-2-carboxylic acid.
What is the SMILES notation for 5-methoxy-1,3-benzoxazole-2-carboxylic acid?
The canonical SMILES for 5-methoxy-1,3-benzoxazole-2-carboxylic acid is COc1ccc2oc(C(=O)O)nc2c1.
What is the InChIKey of 5-methoxy-1,3-benzoxazole-2-carboxylic acid?
The InChIKey is SNQUKJWKYRHONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO4/c1-13-5-2-3-7-6(4-5)10-8(14-7)9(11)12/h2-4H,1H3,(H,11,12).
What are the key properties of 5-methoxy-1,3-benzoxazole-2-carboxylic acid?
5-methoxy-1,3-benzoxazole-2-carboxylic acid has a molecular weight of 193.16 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,3-benzoxazole-2-carboxylic acid is sourced from PubChem (CID 53408299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).