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

C17H15N3O3 — CID 156785092

IUPACmethyl 2-[(2-amino-4-phenyl-1,3-oxazol-5-yl)amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1oc(N)nc1-c1ccccc1
InChIInChI=1S/C17H15N3O3/c1-22-16(21)12-9-5-6-10-13(12)19-15-14(20-17(18)23-15)11-7-3-2-4-8-11/h2-10,19H,1H3,(H2,18,20)
InChIKeyRPJFLOWANGVJET-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.45
Rot. Bonds4

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

methyl 2-[(2-amino-4-phenyl-1,3-oxazol-5-yl)amino]benzoate (PubChem CID 156785092) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is methyl 2-[(2-amino-4-phenyl-1,3-oxazol-5-yl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-4-phenyl-1,3-oxazol-5-yl)amino]benzoate
PubChem CID156785092
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Namemethyl 2-[(2-amino-4-phenyl-1,3-oxazol-5-yl)amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1oc(N)nc1-c1ccccc1
InChIInChI=1S/C17H15N3O3/c1-22-16(21)12-9-5-6-10-13(12)19-15-14(20-17(18)23-15)11-7-3-2-4-8-11/h2-10,19H,1H3,(H2,18,20)
InChIKeyRPJFLOWANGVJET-UHFFFAOYSA-N
XLogP3.45
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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methyl 2-[(5-amino-6-hydrazinylpyrimidin-4-yl)amino]benzoate
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CID 19135033
di(113C)methyl benzene-1,2-dicarboxylate
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methyl 5-(2,3-dimethylanilino)-3-phenyl-1,2-oxazole-4-carboxylate
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CID 91139504

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-4-phenyl-1,3-oxazol-5-yl)amino]benzoate?
The IUPAC name of methyl 2-[(2-amino-4-phenyl-1,3-oxazol-5-yl)amino]benzoate (CID 156785092) is methyl 2-[(2-amino-4-phenyl-1,3-oxazol-5-yl)amino]benzoate.
What is the SMILES notation for methyl 2-[(2-amino-4-phenyl-1,3-oxazol-5-yl)amino]benzoate?
The canonical SMILES for methyl 2-[(2-amino-4-phenyl-1,3-oxazol-5-yl)amino]benzoate is COC(=O)c1ccccc1Nc1oc(N)nc1-c1ccccc1.
What is the InChIKey of methyl 2-[(2-amino-4-phenyl-1,3-oxazol-5-yl)amino]benzoate?
The InChIKey is RPJFLOWANGVJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-22-16(21)12-9-5-6-10-13(12)19-15-14(20-17(18)23-15)11-7-3-2-4-8-11/h2-10,19H,1H3,(H2,18,20).
What are the key properties of methyl 2-[(2-amino-4-phenyl-1,3-oxazol-5-yl)amino]benzoate?
methyl 2-[(2-amino-4-phenyl-1,3-oxazol-5-yl)amino]benzoate has a molecular weight of 309.33 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-4-phenyl-1,3-oxazol-5-yl)amino]benzoate is sourced from PubChem (CID 156785092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).