2-hydroxy-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoic acid

C19H16N2O5 — CID 22087427

IUPAC2-hydroxy-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoic acid
SMILESCc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C19H16N2O5/c1-11-15(21-18(26-11)12-5-3-2-4-6-12)10-17(23)20-13-7-8-14(19(24)25)16(22)9-13/h2-9,22H,10H2,1H3,(H,20,23)(H,24,25)
InChIKeyASTZLDPLGFEXOU-UHFFFAOYSA-N
MW352.35 g/mol
LogP3.24
Rot. Bonds5

About 2-hydroxy-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoic acid

2-hydroxy-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoic acid (PubChem CID 22087427) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-hydroxy-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoic acid
PubChem CID22087427
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name2-hydroxy-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoic acid
SMILESCc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C19H16N2O5/c1-11-15(21-18(26-11)12-5-3-2-4-6-12)10-17(23)20-13-7-8-14(19(24)25)16(22)9-13/h2-9,22H,10H2,1H3,(H,20,23)(H,24,25)
InChIKeyASTZLDPLGFEXOU-UHFFFAOYSA-N
XLogP3.24
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16620648
4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 16620994
N-(4-methyl-3-nitrophenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 31869311
N-(3-chloro-4-methoxyphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16614455
N-ethyl-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 46514633
diethyl 5-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzene-1,3-dicarboxylate
CID 46563552
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 55952063
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 18282283
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16622271
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-naphthalen-1-ylacetamide
CID 16614398
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide
CID 18227851
methyl 2-[[4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoyl]amino]acetate
CID 46552527

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoic acid?
The IUPAC name of 2-hydroxy-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoic acid (CID 22087427) is 2-hydroxy-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoic acid is Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 2-hydroxy-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoic acid?
The InChIKey is ASTZLDPLGFEXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-11-15(21-18(26-11)12-5-3-2-4-6-12)10-17(23)20-13-7-8-14(19(24)25)16(22)9-13/h2-9,22H,10H2,1H3,(H,20,23)(H,24,25).
What are the key properties of 2-hydroxy-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoic acid?
2-hydroxy-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoic acid has a molecular weight of 352.35 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoic acid is sourced from PubChem (CID 22087427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).