methyl 5-cyano-2-methyl-6-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridine-3-carboxylate

C19H16N4O3 — CID 1477177

IUPACmethyl 5-cyano-2-methyl-6-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1cc(C#N)c(NCc2cc(-c3ccccc3)no2)nc1C
InChIInChI=1S/C19H16N4O3/c1-12-16(19(24)25-2)8-14(10-20)18(22-12)21-11-15-9-17(23-26-15)13-6-4-3-5-7-13/h3-9H,11H2,1-2H3,(H,21,22)
InChIKeyHLUQDXYFLVUQHI-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.32
Rot. Bonds5

About methyl 5-cyano-2-methyl-6-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridine-3-carboxylate

methyl 5-cyano-2-methyl-6-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridine-3-carboxylate (PubChem CID 1477177) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is methyl 5-cyano-2-methyl-6-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyano-2-methyl-6-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridine-3-carboxylate
PubChem CID1477177
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Namemethyl 5-cyano-2-methyl-6-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1cc(C#N)c(NCc2cc(-c3ccccc3)no2)nc1C
InChIInChI=1S/C19H16N4O3/c1-12-16(19(24)25-2)8-14(10-20)18(22-12)21-11-15-9-17(23-26-15)13-6-4-3-5-7-13/h3-9H,11H2,1-2H3,(H,21,22)
InChIKeyHLUQDXYFLVUQHI-UHFFFAOYSA-N
XLogP3.32
TPSA101.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-(3-phenyl-1,2-oxazol-5-yl)benzoate
CID 12789637
(3-phenyl-1,2-oxazol-5-yl)methyl 3,5-dimethoxy-4-methylbenzoate
CID 30036377
N-[(3-phenyl-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide
CID 71895813
methyl 6-(4-methylphenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 29091596
ethyl (E)-3-[4-[(3-phenyl-1,2-oxazol-5-yl)methylamino]phenyl]prop-2-enoate
CID 86919307
4-methoxy-3-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methylamino]butan-1-ol
CID 111860090
ethyl 3-oxo-4-(3-phenyl-1,2-oxazol-5-yl)butanoate
CID 58032908
methyl 4-[[(5-cyano-2-methylpyrimidin-4-yl)amino]methyl]benzoate
CID 71173554
1-tert-butyl-5-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide
CID 47056333
N-(2-amino-2-oxoethyl)-4-[(3-phenyl-1,2-oxazol-5-yl)methylamino]benzamide
CID 167895771
methyl 3-amino-4-cyano-1-[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]phenyl]pyrrole-2-carboxylate
CID 168549615
methyl 2-methoxy-5-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]benzoate
CID 133481785

Frequently Asked Questions

What is the IUPAC name of methyl 5-cyano-2-methyl-6-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridine-3-carboxylate?
The IUPAC name of methyl 5-cyano-2-methyl-6-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridine-3-carboxylate (CID 1477177) is methyl 5-cyano-2-methyl-6-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-cyano-2-methyl-6-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-cyano-2-methyl-6-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridine-3-carboxylate is COC(=O)c1cc(C#N)c(NCc2cc(-c3ccccc3)no2)nc1C.
What is the InChIKey of methyl 5-cyano-2-methyl-6-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridine-3-carboxylate?
The InChIKey is HLUQDXYFLVUQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-12-16(19(24)25-2)8-14(10-20)18(22-12)21-11-15-9-17(23-26-15)13-6-4-3-5-7-13/h3-9H,11H2,1-2H3,(H,21,22).
What are the key properties of methyl 5-cyano-2-methyl-6-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridine-3-carboxylate?
methyl 5-cyano-2-methyl-6-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridine-3-carboxylate has a molecular weight of 348.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyano-2-methyl-6-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 1477177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).