2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]benzoic acid

C13H13N3O5 — CID 106374468

IUPAC2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]benzoic acid
SMILESCc1cnc(CNC(=O)Nc2ccc(O)c(C(=O)O)c2)o1
InChIInChI=1S/C13H13N3O5/c1-7-5-14-11(21-7)6-15-13(20)16-8-2-3-10(17)9(4-8)12(18)19/h2-5,17H,6H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyBJPOEIYZQXGXII-UHFFFAOYSA-N
MW291.26 g/mol
LogP1.71
Rot. Bonds4

About 2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]benzoic acid

2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]benzoic acid (PubChem CID 106374468) has the molecular formula C13H13N3O5 and a molecular weight of 291.26 g/mol. Its IUPAC name is 2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]benzoic acid
PubChem CID106374468
Molecular FormulaC13H13N3O5
Molecular Weight291.26 g/mol
Exact Mass291.09
IUPAC Name2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]benzoic acid
SMILESCc1cnc(CNC(=O)Nc2ccc(O)c(C(=O)O)c2)o1
InChIInChI=1S/C13H13N3O5/c1-7-5-14-11(21-7)6-15-13(20)16-8-2-3-10(17)9(4-8)12(18)19/h2-5,17H,6H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyBJPOEIYZQXGXII-UHFFFAOYSA-N
XLogP1.71
TPSA124.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 51.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]benzoic acid
CID 106370356
2-hydroxy-5-(pyridin-4-ylmethylcarbamoylamino)benzoic acid
CID 61200541
5-fluoro-2-hydroxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 103739171
2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetic acid
CID 106374600
2-chloro-5-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid
CID 62524083
1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopropane-1-carboxylic acid
CID 106374467
2-hydroxy-5-[(1-methylcyclopentyl)methylcarbamoylamino]benzoic acid
CID 63829460
2-bromo-5-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid
CID 115296876
2-hydroxy-5-(2-methylsulfonylethylcarbamoylamino)benzoic acid
CID 61206291
2-hydroxy-4-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 103722993
2-hydroxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 28777043
2-[1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopentyl]acetic acid
CID 106374503

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]benzoic acid?
The IUPAC name of 2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]benzoic acid (CID 106374468) is 2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]benzoic acid is Cc1cnc(CNC(=O)Nc2ccc(O)c(C(=O)O)c2)o1.
What is the InChIKey of 2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]benzoic acid?
The InChIKey is BJPOEIYZQXGXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O5/c1-7-5-14-11(21-7)6-15-13(20)16-8-2-3-10(17)9(4-8)12(18)19/h2-5,17H,6H2,1H3,(H,18,19)(H2,15,16,20).
What are the key properties of 2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]benzoic acid?
2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]benzoic acid has a molecular weight of 291.26 g/mol, XLogP of 1.71, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]benzoic acid is sourced from PubChem (CID 106374468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).