5-amino-4-(5-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid

C11H9ClN2O4 — CID 82092642

IUPAC5-amino-4-(5-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1ccc(Cl)cc1-c1c(C(=O)O)noc1N
InChIInChI=1S/C11H9ClN2O4/c1-17-7-3-2-5(12)4-6(7)8-9(11(15)16)14-18-10(8)13/h2-4H,13H2,1H3,(H,15,16)
InChIKeyMCDMIMQSTLZPPB-UHFFFAOYSA-N
MW268.66 g/mol
LogP2.28
Rot. Bonds3

About 5-amino-4-(5-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid

5-amino-4-(5-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 82092642) has the molecular formula C11H9ClN2O4 and a molecular weight of 268.66 g/mol. Its IUPAC name is 5-amino-4-(5-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-4-(5-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID82092642
Molecular FormulaC11H9ClN2O4
Molecular Weight268.66 g/mol
Exact Mass268.03
IUPAC Name5-amino-4-(5-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1ccc(Cl)cc1-c1c(C(=O)O)noc1N
InChIInChI=1S/C11H9ClN2O4/c1-17-7-3-2-5(12)4-6(7)8-9(11(15)16)14-18-10(8)13/h2-4H,13H2,1H3,(H,15,16)
InChIKeyMCDMIMQSTLZPPB-UHFFFAOYSA-N
XLogP2.28
TPSA98.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.66
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-(3-fluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 82087875
4-(5-chloro-2-methoxyphenyl)-3-cyclopentyl-1,2-oxazol-5-amine
CID 43336109
4-(5-chloro-2-methoxyphenyl)-3-pentyl-1,2-oxazol-5-amine
CID 43336106
4-(5-chloro-2-methoxyphenyl)-3-(furan-3-yl)-1,2-oxazol-5-amine
CID 43336120
4-(5-chloro-2-methoxyphenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine
CID 80644994
3-(5-chloro-2-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62500702
3-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 3313057
2-amino-5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid
CID 53223935
3-(5-chloro-2-methoxyphenyl)-5-phenyl-1,2-oxazole
CID 150298354
1-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 19332731
5-(2-chlorofuran-3-yl)-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine
CID 106690651
5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid
CID 52984128

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(5-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-amino-4-(5-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid (CID 82092642) is 5-amino-4-(5-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-amino-4-(5-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-amino-4-(5-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid is COc1ccc(Cl)cc1-c1c(C(=O)O)noc1N.
What is the InChIKey of 5-amino-4-(5-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is MCDMIMQSTLZPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O4/c1-17-7-3-2-5(12)4-6(7)8-9(11(15)16)14-18-10(8)13/h2-4H,13H2,1H3,(H,15,16).
What are the key properties of 5-amino-4-(5-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
5-amino-4-(5-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 268.66 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(5-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 82092642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).