methyl 2-chloro-5-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate

C19H15ClN2O4 — CID 38239776

IUPACmethyl 2-chloro-5-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)Cc2coc(-c3ccccc3)n2)ccc1Cl
InChIInChI=1S/C19H15ClN2O4/c1-25-19(24)15-9-13(7-8-16(15)20)21-17(23)10-14-11-26-18(22-14)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,21,23)
InChIKeyWGKROCBNJGQRHP-UHFFFAOYSA-N
MW370.79 g/mol
LogP3.96
Rot. Bonds5

About methyl 2-chloro-5-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate

methyl 2-chloro-5-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate (PubChem CID 38239776) has the molecular formula C19H15ClN2O4 and a molecular weight of 370.79 g/mol. Its IUPAC name is methyl 2-chloro-5-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate
PubChem CID38239776
Molecular FormulaC19H15ClN2O4
Molecular Weight370.79 g/mol
Exact Mass370.07
IUPAC Namemethyl 2-chloro-5-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)Cc2coc(-c3ccccc3)n2)ccc1Cl
InChIInChI=1S/C19H15ClN2O4/c1-25-19(24)15-9-13(7-8-16(15)20)21-17(23)10-14-11-26-18(22-14)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,21,23)
InChIKeyWGKROCBNJGQRHP-UHFFFAOYSA-N
XLogP3.96
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-phenyl-1,3-oxazol-4-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 39427955
N-(4-anilinophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55457295
N-(4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 39427929
N-(4-ethoxyphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34802338
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34058902
ethyl 3-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate
CID 51262315
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34082048
N-(3,5-difluorophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34169541
N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34304284
N-[3-[(dimethylamino)methyl]phenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 86932024
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55449308
N,N-diethyl-4-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 34318469

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 2-chloro-5-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate (CID 38239776) is methyl 2-chloro-5-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-chloro-5-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate is COC(=O)c1cc(NC(=O)Cc2coc(-c3ccccc3)n2)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate?
The InChIKey is WGKROCBNJGQRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O4/c1-25-19(24)15-9-13(7-8-16(15)20)21-17(23)10-14-11-26-18(22-14)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,21,23).
What are the key properties of methyl 2-chloro-5-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate?
methyl 2-chloro-5-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate has a molecular weight of 370.79 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate is sourced from PubChem (CID 38239776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).