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

C13H14N2O3 — CID 62514497

IUPAC5-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzoic acid
SMILESCc1ccc(NCc2cc(C)on2)c(C(=O)O)c1
InChIInChI=1S/C13H14N2O3/c1-8-3-4-12(11(5-8)13(16)17)14-7-10-6-9(2)18-15-10/h3-6,14H,7H2,1-2H3,(H,16,17)
InChIKeyREOWRKHVMVUKDD-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.60
Rot. Bonds4

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

5-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzoic acid (PubChem CID 62514497) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzoic acid.

Molecular Properties

Compound Name5-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzoic acid
PubChem CID62514497
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name5-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzoic acid
SMILESCc1ccc(NCc2cc(C)on2)c(C(=O)O)c1
InChIInChI=1S/C13H14N2O3/c1-8-3-4-12(11(5-8)13(16)17)14-7-10-6-9(2)18-15-10/h3-6,14H,7H2,1-2H3,(H,16,17)
InChIKeyREOWRKHVMVUKDD-UHFFFAOYSA-N
XLogP2.60
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzenecarbothioamide
CID 62301940
5-methyl-2-[(4-methylphenyl)methylamino]benzoic acid
CID 62514277
3-amino-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzoic acid
CID 112578662
2,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyridine-3-carboxylic acid
CID 81052352
3-fluoro-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyridine-4-carboxylic acid
CID 105382172
N,N-diethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzamide
CID 52758354
2-hydroxy-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47398917
5-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzoic acid
CID 62516219
2-[(2-amino-2-oxoethyl)amino]-5-methylbenzoic acid
CID 18802501
3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 47728425
2-(butylamino)-5-methylbenzoic acid
CID 18802498
5-methyl-2-(2-propan-2-yloxyethylamino)benzoic acid
CID 104762145

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzoic acid?
The IUPAC name of 5-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzoic acid (CID 62514497) is 5-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzoic acid.
What is the SMILES notation for 5-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzoic acid?
The canonical SMILES for 5-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzoic acid is Cc1ccc(NCc2cc(C)on2)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzoic acid?
The InChIKey is REOWRKHVMVUKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8-3-4-12(11(5-8)13(16)17)14-7-10-6-9(2)18-15-10/h3-6,14H,7H2,1-2H3,(H,16,17).
What are the key properties of 5-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzoic acid?
5-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzoic acid has a molecular weight of 246.27 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzoic acid is sourced from PubChem (CID 62514497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).