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

C15H15ClN2O4 — CID 110680159

IUPACmethyl 4-chloro-3-[[2-(2,4-dimethyl-1,3-oxazol-5-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)Cc2oc(C)nc2C)c1
InChIInChI=1S/C15H15ClN2O4/c1-8-13(22-9(2)17-8)7-14(19)18-12-6-10(15(20)21-3)4-5-11(12)16/h4-6H,7H2,1-3H3,(H,18,19)
InChIKeyTYBYQARZRHZNHR-UHFFFAOYSA-N
MW322.75 g/mol
LogP2.91
Rot. Bonds4

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

methyl 4-chloro-3-[[2-(2,4-dimethyl-1,3-oxazol-5-yl)acetyl]amino]benzoate (PubChem CID 110680159) has the molecular formula C15H15ClN2O4 and a molecular weight of 322.75 g/mol. Its IUPAC name is methyl 4-chloro-3-[[2-(2,4-dimethyl-1,3-oxazol-5-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[2-(2,4-dimethyl-1,3-oxazol-5-yl)acetyl]amino]benzoate
PubChem CID110680159
Molecular FormulaC15H15ClN2O4
Molecular Weight322.75 g/mol
Exact Mass322.07
IUPAC Namemethyl 4-chloro-3-[[2-(2,4-dimethyl-1,3-oxazol-5-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)Cc2oc(C)nc2C)c1
InChIInChI=1S/C15H15ClN2O4/c1-8-13(22-9(2)17-8)7-14(19)18-12-6-10(15(20)21-3)4-5-11(12)16/h4-6H,7H2,1-3H3,(H,18,19)
InChIKeyTYBYQARZRHZNHR-UHFFFAOYSA-N
XLogP2.91
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-chloro-3-[[2-(2,4-dimethyl-1,3-oxazol-5-yl)acetyl]amino]benzoate with MolForge

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Related Compounds

dimethyl 2-[[2-(2,4-dimethyl-1,3-oxazol-5-yl)acetyl]amino]benzene-1,4-dicarboxylate
CID 110680206
methyl 4-chloro-3-[(2-phenylacetyl)amino]benzoate
CID 956278
methyl 4-chloro-3-[(2-propan-2-yloxyacetyl)amino]benzoate
CID 112687194
methyl 3-[[2-(butanoylamino)acetyl]amino]-4-chlorobenzoate
CID 112999994
2-(2,4-dimethyl-1,3-oxazol-5-yl)-N-(2,4-dimethylphenyl)acetamide
CID 110680104
5-(2-chloro-5-methoxycarbonylanilino)-3-methyl-5-oxopentanoic acid
CID 62965555
methyl 3-[(2-benzamidoacetyl)amino]-4-chlorobenzoate
CID 110666935
methyl 3-[(2-anilinoacetyl)amino]-4-chlorobenzoate
CID 109007110
methyl 4-chloro-3-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzoate
CID 8910012
methyl 4-chloro-3-[[2-[[2-(4-fluorophenyl)acetyl]amino]acetyl]amino]benzoate
CID 113000016
methyl 4-chloro-3-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoyl]amino]benzoate
CID 110424464
6-(2-chloro-5-methoxycarbonylanilino)-6-oxohexanoic acid
CID 43579926

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[2-(2,4-dimethyl-1,3-oxazol-5-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[[2-(2,4-dimethyl-1,3-oxazol-5-yl)acetyl]amino]benzoate (CID 110680159) is methyl 4-chloro-3-[[2-(2,4-dimethyl-1,3-oxazol-5-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[2-(2,4-dimethyl-1,3-oxazol-5-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[2-(2,4-dimethyl-1,3-oxazol-5-yl)acetyl]amino]benzoate is COC(=O)c1ccc(Cl)c(NC(=O)Cc2oc(C)nc2C)c1.
What is the InChIKey of methyl 4-chloro-3-[[2-(2,4-dimethyl-1,3-oxazol-5-yl)acetyl]amino]benzoate?
The InChIKey is TYBYQARZRHZNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4/c1-8-13(22-9(2)17-8)7-14(19)18-12-6-10(15(20)21-3)4-5-11(12)16/h4-6H,7H2,1-3H3,(H,18,19).
What are the key properties of methyl 4-chloro-3-[[2-(2,4-dimethyl-1,3-oxazol-5-yl)acetyl]amino]benzoate?
methyl 4-chloro-3-[[2-(2,4-dimethyl-1,3-oxazol-5-yl)acetyl]amino]benzoate has a molecular weight of 322.75 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[[2-(2,4-dimethyl-1,3-oxazol-5-yl)acetyl]amino]benzoate is sourced from PubChem (CID 110680159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).