5-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)methyl]phenyl]diazenyl]-2-hydroxybenzoic acid

C19H17N3O4 — CID 135843576

IUPAC5-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)methyl]phenyl]diazenyl]-2-hydroxybenzoic acid
SMILESCc1noc(Cc2ccc(/N=N/c3ccc(O)c(C(=O)O)c3)cc2)c1C
InChIInChI=1S/C19H17N3O4/c1-11-12(2)22-26-18(11)9-13-3-5-14(6-4-13)20-21-15-7-8-17(23)16(10-15)19(24)25/h3-8,10,23H,9H2,1-2H3,(H,24,25)/b21-20+
InChIKeyDSNHRZHAVOSFDO-QZQOTICOSA-N
MW351.36 g/mol
LogP4.70
Rot. Bonds5

About 5-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)methyl]phenyl]diazenyl]-2-hydroxybenzoic acid

5-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)methyl]phenyl]diazenyl]-2-hydroxybenzoic acid (PubChem CID 135843576) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 5-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)methyl]phenyl]diazenyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)methyl]phenyl]diazenyl]-2-hydroxybenzoic acid
PubChem CID135843576
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name5-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)methyl]phenyl]diazenyl]-2-hydroxybenzoic acid
SMILESCc1noc(Cc2ccc(/N=N/c3ccc(O)c(C(=O)O)c3)cc2)c1C
InChIInChI=1S/C19H17N3O4/c1-11-12(2)22-26-18(11)9-13-3-5-14(6-4-13)20-21-15-7-8-17(23)16(10-15)19(24)25/h3-8,10,23H,9H2,1-2H3,(H,24,25)/b21-20+
InChIKeyDSNHRZHAVOSFDO-QZQOTICOSA-N
XLogP4.70
TPSA108.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

5-[[4-[2-[4-[(3-carboxy-4-hydroxyphenyl)diazenyl]phenyl]ethyl]phenyl]diazenyl]-2-hydroxybenzoic acid
CID 177409080
5-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
CID 136609205
4-[(3-carboxy-4-hydroxyphenyl)diazenyl]benzenesulfonate
CID 3746741
CID 170854418
CID 170854418
5-[(3-carboxy-4-hydroxyphenyl)diazenyl]pyridine-3-carboxylic acid
CID 154698524
sodium;hydride;2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid
CID 173234784
2-hydroxy-5-[[4-[[2,4,6-trimethyl-3-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]benzoic acid
CID 101328688
5-[[4-[(4-amino-3-methylbenzoyl)amino]phenyl]diazenyl]-2-hydroxybenzoic acid
CID 3022919
sodium;5-[[4-(2-carboxyethylcarbamoyl)phenyl]diazenyl]-2-hydroxybenzoic acid;hydride
CID 173281834
5-[[4-(3-carboxypropanoylsulfamoyl)phenyl]diazenyl]-2-hydroxybenzoic acid
CID 135423090
2-[[2-[4-[[3-(1,2-dicarboxyethylcarbamoyl)-4-hydroxyphenyl]diazenyl]phenyl]acetyl]amino]butanedioic acid
CID 135860177
2-hydroxy-5-(2-oxopropyl)benzoic acid
CID 24721592

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)methyl]phenyl]diazenyl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)methyl]phenyl]diazenyl]-2-hydroxybenzoic acid (CID 135843576) is 5-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)methyl]phenyl]diazenyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)methyl]phenyl]diazenyl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)methyl]phenyl]diazenyl]-2-hydroxybenzoic acid is Cc1noc(Cc2ccc(/N=N/c3ccc(O)c(C(=O)O)c3)cc2)c1C.
What is the InChIKey of 5-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)methyl]phenyl]diazenyl]-2-hydroxybenzoic acid?
The InChIKey is DSNHRZHAVOSFDO-QZQOTICOSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-11-12(2)22-26-18(11)9-13-3-5-14(6-4-13)20-21-15-7-8-17(23)16(10-15)19(24)25/h3-8,10,23H,9H2,1-2H3,(H,24,25)/b21-20+.
What are the key properties of 5-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)methyl]phenyl]diazenyl]-2-hydroxybenzoic acid?
5-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)methyl]phenyl]diazenyl]-2-hydroxybenzoic acid has a molecular weight of 351.36 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)methyl]phenyl]diazenyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 135843576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).