6,7-dimethoxy-1,2-benzoxazole-3-carboxylic acid

C10H9NO5 — CID 117109892

IUPAC6,7-dimethoxy-1,2-benzoxazole-3-carboxylic acid
SMILESCOc1ccc2c(C(=O)O)noc2c1OC
InChIInChI=1S/C10H9NO5/c1-14-6-4-3-5-7(10(12)13)11-16-8(5)9(6)15-2/h3-4H,1-2H3,(H,12,13)
InChIKeyMWXZWGNCPIOXMX-UHFFFAOYSA-N
MW223.18 g/mol
LogP1.54
Rot. Bonds3

About 6,7-dimethoxy-1,2-benzoxazole-3-carboxylic acid

6,7-dimethoxy-1,2-benzoxazole-3-carboxylic acid (PubChem CID 117109892) has the molecular formula C10H9NO5 and a molecular weight of 223.18 g/mol. Its IUPAC name is 6,7-dimethoxy-1,2-benzoxazole-3-carboxylic acid.

Molecular Properties

Compound Name6,7-dimethoxy-1,2-benzoxazole-3-carboxylic acid
PubChem CID117109892
Molecular FormulaC10H9NO5
Molecular Weight223.18 g/mol
Exact Mass223.05
IUPAC Name6,7-dimethoxy-1,2-benzoxazole-3-carboxylic acid
SMILESCOc1ccc2c(C(=O)O)noc2c1OC
InChIInChI=1S/C10H9NO5/c1-14-6-4-3-5-7(10(12)13)11-16-8(5)9(6)15-2/h3-4H,1-2H3,(H,12,13)
InChIKeyMWXZWGNCPIOXMX-UHFFFAOYSA-N
XLogP1.54
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-dimethoxy-3-propan-2-yl-1,2-benzoxazole
CID 142014724
7-hydroxy-1,2-benzoxazole-3-carboxylic acid
CID 84656727
4-bromo-5-(4-methoxy-2,3-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 116858082
6,7-dimethoxy-3-(4-methylpentan-2-yl)-1,2-benzoxazole
CID 20800991
6,7-dimethoxy-3-thiophen-2-yl-1,2-benzoxazole
CID 15750360
5,8-dimethoxyisoquinoline-1-carboxylic acid
CID 82390143
5-amino-4-(5-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 82092642
5-(6-chloro-2,3-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117455882
5-amino-4-(3-fluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 82087875
6-bromo-2,3-dimethoxybenzoic acid
CID 11054430
5-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117411985
methyl 7-methoxy-[1,2]oxazolo[4,5-b]pyridine-3-carboxylate
CID 22633103

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1,2-benzoxazole-3-carboxylic acid?
The IUPAC name of 6,7-dimethoxy-1,2-benzoxazole-3-carboxylic acid (CID 117109892) is 6,7-dimethoxy-1,2-benzoxazole-3-carboxylic acid.
What is the SMILES notation for 6,7-dimethoxy-1,2-benzoxazole-3-carboxylic acid?
The canonical SMILES for 6,7-dimethoxy-1,2-benzoxazole-3-carboxylic acid is COc1ccc2c(C(=O)O)noc2c1OC.
What is the InChIKey of 6,7-dimethoxy-1,2-benzoxazole-3-carboxylic acid?
The InChIKey is MWXZWGNCPIOXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO5/c1-14-6-4-3-5-7(10(12)13)11-16-8(5)9(6)15-2/h3-4H,1-2H3,(H,12,13).
What are the key properties of 6,7-dimethoxy-1,2-benzoxazole-3-carboxylic acid?
6,7-dimethoxy-1,2-benzoxazole-3-carboxylic acid has a molecular weight of 223.18 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1,2-benzoxazole-3-carboxylic acid is sourced from PubChem (CID 117109892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).