2-[[2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]-5-methylbenzoic acid

C19H18N2O4 — CID 108806265

IUPAC2-[[2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]-5-methylbenzoic acid
SMILESCc1ccc(NC(=O)Cc2noc3c(C)cc(C)cc23)c(C(=O)O)c1
InChIInChI=1S/C19H18N2O4/c1-10-4-5-15(14(7-10)19(23)24)20-17(22)9-16-13-8-11(2)6-12(3)18(13)25-21-16/h4-8H,9H2,1-3H3,(H,20,22)(H,23,24)
InChIKeyZCKPRWBUJVSVEE-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.63
Rot. Bonds4

About 2-[[2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]-5-methylbenzoic acid

2-[[2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]-5-methylbenzoic acid (PubChem CID 108806265) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-[[2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[[2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]-5-methylbenzoic acid
PubChem CID108806265
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name2-[[2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]-5-methylbenzoic acid
SMILESCc1ccc(NC(=O)Cc2noc3c(C)cc(C)cc23)c(C(=O)O)c1
InChIInChI=1S/C19H18N2O4/c1-10-4-5-15(14(7-10)19(23)24)20-17(22)9-16-13-8-11(2)6-12(3)18(13)25-21-16/h4-8H,9H2,1-3H3,(H,20,22)(H,23,24)
InChIKeyZCKPRWBUJVSVEE-UHFFFAOYSA-N
XLogP3.63
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 108806164
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-iodophenyl)acetamide
CID 108794539
3-[[2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoic acid
CID 108794443
N-(4-bromophenyl)-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108794442
2-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoic acid
CID 108803274
N-(4-acetylphenyl)-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108806192
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 108806118
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)acetamide
CID 108806273
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2-methylphenyl)acetamide
CID 22519860
N-[4-(benzylsulfamoyl)phenyl]-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108806213
2-[[2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]hexanoic acid
CID 108794587
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108806231

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]-5-methylbenzoic acid?
The IUPAC name of 2-[[2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]-5-methylbenzoic acid (CID 108806265) is 2-[[2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[[2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[[2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]-5-methylbenzoic acid is Cc1ccc(NC(=O)Cc2noc3c(C)cc(C)cc23)c(C(=O)O)c1.
What is the InChIKey of 2-[[2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]-5-methylbenzoic acid?
The InChIKey is ZCKPRWBUJVSVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-10-4-5-15(14(7-10)19(23)24)20-17(22)9-16-13-8-11(2)6-12(3)18(13)25-21-16/h4-8H,9H2,1-3H3,(H,20,22)(H,23,24).
What are the key properties of 2-[[2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]-5-methylbenzoic acid?
2-[[2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]-5-methylbenzoic acid has a molecular weight of 338.36 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]-5-methylbenzoic acid is sourced from PubChem (CID 108806265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).