3-chloro-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]benzoic acid

C13H11ClN2O5 — CID 107047018

IUPAC3-chloro-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]benzoic acid
SMILESCOCc1cc(C(=O)Nc2c(Cl)cccc2C(=O)O)no1
InChIInChI=1S/C13H11ClN2O5/c1-20-6-7-5-10(16-21-7)12(17)15-11-8(13(18)19)3-2-4-9(11)14/h2-5H,6H2,1H3,(H,15,17)(H,18,19)
InChIKeyWEEKHHJONJYYIJ-UHFFFAOYSA-N
MW310.69 g/mol
LogP2.42
Rot. Bonds5

About 3-chloro-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]benzoic acid

3-chloro-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]benzoic acid (PubChem CID 107047018) has the molecular formula C13H11ClN2O5 and a molecular weight of 310.69 g/mol. Its IUPAC name is 3-chloro-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name3-chloro-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]benzoic acid
PubChem CID107047018
Molecular FormulaC13H11ClN2O5
Molecular Weight310.69 g/mol
Exact Mass310.04
IUPAC Name3-chloro-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]benzoic acid
SMILESCOCc1cc(C(=O)Nc2c(Cl)cccc2C(=O)O)no1
InChIInChI=1S/C13H11ClN2O5/c1-20-6-7-5-10(16-21-7)12(17)15-11-8(13(18)19)3-2-4-9(11)14/h2-5H,6H2,1H3,(H,15,17)(H,18,19)
InChIKeyWEEKHHJONJYYIJ-UHFFFAOYSA-N
XLogP2.42
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.69
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-3-carboxylic acid
CID 66156725
3-chloro-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
CID 107047411
2-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]phenyl]acetic acid
CID 66155943
N-(2-cyano-6-methoxyphenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 107468124
3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-2-carboxylic acid
CID 66156920
3-chloro-2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
CID 107046625
3-chloro-2-[(3-methoxybenzoyl)amino]benzoic acid
CID 107046812
methyl 5-(methoxymethyl)-1,2-oxazole-3-carboxylate
CID 13371025
N-(4-bromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66158532
N-(2-amino-4,6-dibromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66158095
3-chloro-2-[(2,5-dichlorobenzoyl)amino]benzoic acid
CID 107047080
3-chloro-2-[(2-methylbenzoyl)amino]benzoic acid
CID 23208226

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]benzoic acid?
The IUPAC name of 3-chloro-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]benzoic acid (CID 107047018) is 3-chloro-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]benzoic acid.
What is the SMILES notation for 3-chloro-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]benzoic acid?
The canonical SMILES for 3-chloro-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]benzoic acid is COCc1cc(C(=O)Nc2c(Cl)cccc2C(=O)O)no1.
What is the InChIKey of 3-chloro-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]benzoic acid?
The InChIKey is WEEKHHJONJYYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O5/c1-20-6-7-5-10(16-21-7)12(17)15-11-8(13(18)19)3-2-4-9(11)14/h2-5H,6H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 3-chloro-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]benzoic acid?
3-chloro-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]benzoic acid has a molecular weight of 310.69 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]benzoic acid is sourced from PubChem (CID 107047018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).