7-methoxy-1,2-benzoxazole-6-carboxylic acid

C9H7NO4 — CID 117109900

IUPAC7-methoxy-1,2-benzoxazole-6-carboxylic acid
SMILESCOc1c(C(=O)O)ccc2cnoc12
InChIInChI=1S/C9H7NO4/c1-13-8-6(9(11)12)3-2-5-4-10-14-7(5)8/h2-4H,1H3,(H,11,12)
InChIKeyUWOZVZWDESMKRC-UHFFFAOYSA-N
MW193.16 g/mol
LogP1.53
Rot. Bonds2

About 7-methoxy-1,2-benzoxazole-6-carboxylic acid

7-methoxy-1,2-benzoxazole-6-carboxylic acid (PubChem CID 117109900) has the molecular formula C9H7NO4 and a molecular weight of 193.16 g/mol. Its IUPAC name is 7-methoxy-1,2-benzoxazole-6-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-1,2-benzoxazole-6-carboxylic acid
PubChem CID117109900
Molecular FormulaC9H7NO4
Molecular Weight193.16 g/mol
Exact Mass193.04
IUPAC Name7-methoxy-1,2-benzoxazole-6-carboxylic acid
SMILESCOc1c(C(=O)O)ccc2cnoc12
InChIInChI=1S/C9H7NO4/c1-13-8-6(9(11)12)3-2-5-4-10-14-7(5)8/h2-4H,1H3,(H,11,12)
InChIKeyUWOZVZWDESMKRC-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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Related Compounds

5-methoxy-1,2-benzoxazole-7-carboxylic acid
CID 117109911
7-bromo-1,2-benzoxazole-4-carboxylic acid
CID 117109891
7-methoxy-1-methylindazole-6-carboxylic acid
CID 117109695
5-methoxy-1,2-oxazole-4-carboxylic acid
CID 25418693
2-hydroxy-3-methoxyterephthalic acid
CID 150906363
2-chloro-3-methoxyterephthalic acid
CID 126601706
2-amino-3-methoxyterephthalic acid
CID 132516468
4-methoxy-3-methyl-1,2-benzoxazole-5-carboxylic acid
CID 117110028
8-methoxy-1-methylisoquinoline-7-carboxylic acid
CID 84682582
5-(5-bromo-2-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82308210
3,4-dibromo-2-methoxybenzoic acid
CID 171002402
3-hydroxy-2,4-dimethoxybenzoic acid
CID 20533708

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1,2-benzoxazole-6-carboxylic acid?
The IUPAC name of 7-methoxy-1,2-benzoxazole-6-carboxylic acid (CID 117109900) is 7-methoxy-1,2-benzoxazole-6-carboxylic acid.
What is the SMILES notation for 7-methoxy-1,2-benzoxazole-6-carboxylic acid?
The canonical SMILES for 7-methoxy-1,2-benzoxazole-6-carboxylic acid is COc1c(C(=O)O)ccc2cnoc12.
What is the InChIKey of 7-methoxy-1,2-benzoxazole-6-carboxylic acid?
The InChIKey is UWOZVZWDESMKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO4/c1-13-8-6(9(11)12)3-2-5-4-10-14-7(5)8/h2-4H,1H3,(H,11,12).
What are the key properties of 7-methoxy-1,2-benzoxazole-6-carboxylic acid?
7-methoxy-1,2-benzoxazole-6-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 7-methoxy-1,2-benzoxazole-6-carboxylic acid is sourced from PubChem (CID 117109900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).