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

C9H7NO4 — CID 117109911

IUPAC5-methoxy-1,2-benzoxazole-7-carboxylic acid
SMILESCOc1cc(C(=O)O)c2oncc2c1
InChIInChI=1S/C9H7NO4/c1-13-6-2-5-4-10-14-8(5)7(3-6)9(11)12/h2-4H,1H3,(H,11,12)
InChIKeySXRNQIZTDSXRPQ-UHFFFAOYSA-N
MW193.16 g/mol
LogP1.53
Rot. Bonds2

About 5-methoxy-1,2-benzoxazole-7-carboxylic acid

5-methoxy-1,2-benzoxazole-7-carboxylic acid (PubChem CID 117109911) has the molecular formula C9H7NO4 and a molecular weight of 193.16 g/mol. Its IUPAC name is 5-methoxy-1,2-benzoxazole-7-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-1,2-benzoxazole-7-carboxylic acid
PubChem CID117109911
Molecular FormulaC9H7NO4
Molecular Weight193.16 g/mol
Exact Mass193.04
IUPAC Name5-methoxy-1,2-benzoxazole-7-carboxylic acid
SMILESCOc1cc(C(=O)O)c2oncc2c1
InChIInChI=1S/C9H7NO4/c1-13-6-2-5-4-10-14-8(5)7(3-6)9(11)12/h2-4H,1H3,(H,11,12)
InChIKeySXRNQIZTDSXRPQ-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

7-methoxy-1,2-benzoxazole-6-carboxylic acid
CID 117109900
5-methoxy-1,2-oxazole-4-carboxylic acid
CID 25418693
2-amino-5-methoxybenzene-1,3-dicarboxylic acid
CID 66762655
5-(5-bromo-2-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82308210
3-chloro-5-methoxy-2-trimethylsilyloxybenzoic acid
CID 167741862
5-(5-methoxy-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid
CID 115109391
anisole;5-methyl-1,2-oxazole-4-carbonyl chloride
CID 21317346
5-bromo-7-methoxy-1,2-benzoxazole
CID 83669479
5-methoxy-3-methyl-2-sulfanylbenzoic acid
CID 91874590
2-bromo-5-methoxy-3-methylbenzoic acid
CID 15227362
2-hydroxy-3-iodo-5-methoxybenzoic acid
CID 100583382
3,5-dimethoxy-2-nitrobenzoic acid
CID 7472021

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,2-benzoxazole-7-carboxylic acid?
The IUPAC name of 5-methoxy-1,2-benzoxazole-7-carboxylic acid (CID 117109911) is 5-methoxy-1,2-benzoxazole-7-carboxylic acid.
What is the SMILES notation for 5-methoxy-1,2-benzoxazole-7-carboxylic acid?
The canonical SMILES for 5-methoxy-1,2-benzoxazole-7-carboxylic acid is COc1cc(C(=O)O)c2oncc2c1.
What is the InChIKey of 5-methoxy-1,2-benzoxazole-7-carboxylic acid?
The InChIKey is SXRNQIZTDSXRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO4/c1-13-6-2-5-4-10-14-8(5)7(3-6)9(11)12/h2-4H,1H3,(H,11,12).
What are the key properties of 5-methoxy-1,2-benzoxazole-7-carboxylic acid?
5-methoxy-1,2-benzoxazole-7-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-1,2-benzoxazole-7-carboxylic acid is sourced from PubChem (CID 117109911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).