methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate

C17H14N2O3 — CID 139441240

IUPACmethyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate
SMILESCOC(=O)c1cccc(-c2cnc(Nc3ccccc3)o2)c1
InChIInChI=1S/C17H14N2O3/c1-21-16(20)13-7-5-6-12(10-13)15-11-18-17(22-15)19-14-8-3-2-4-9-14/h2-11H,1H3,(H,18,19)
InChIKeyYJGXNQNBUIVVDL-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.87
Rot. Bonds4

About methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate

methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate (PubChem CID 139441240) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate
PubChem CID139441240
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Namemethyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate
SMILESCOC(=O)c1cccc(-c2cnc(Nc3ccccc3)o2)c1
InChIInChI=1S/C17H14N2O3/c1-21-16(20)13-7-5-6-12(10-13)15-11-18-17(22-15)19-14-8-3-2-4-9-14/h2-11H,1H3,(H,18,19)
InChIKeyYJGXNQNBUIVVDL-UHFFFAOYSA-N
XLogP3.87
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]benzoate
CID 139441273
3-[2-(4-hydroxyanilino)-1,3-oxazol-5-yl]benzoic acid
CID 46880468
3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoic acid
CID 139441300
1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone
CID 157392121
4-[2-(3-methoxyanilino)-1,3-oxazol-5-yl]benzoic acid
CID 166108179
3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoic acid
CID 139434520
1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone
CID 158393367
ethyl 2-methoxy-4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzoate
CID 139225247
N-(3-ethylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 5329848
methyl 5-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxylate
CID 155585480
methyl 3-pyrimidin-2-ylbenzoate
CID 69487031
6-(3-methoxycarbonylphenyl)pyridine-3-carboxylic acid
CID 53223675

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate?
The IUPAC name of methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate (CID 139441240) is methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate.
What is the SMILES notation for methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate?
The canonical SMILES for methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate is COC(=O)c1cccc(-c2cnc(Nc3ccccc3)o2)c1.
What is the InChIKey of methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate?
The InChIKey is YJGXNQNBUIVVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-21-16(20)13-7-5-6-12(10-13)15-11-18-17(22-15)19-14-8-3-2-4-9-14/h2-11H,1H3,(H,18,19).
What are the key properties of methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate?
methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate has a molecular weight of 294.31 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate is sourced from PubChem (CID 139441240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).