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

C19H19N3O3 — CID 56915722

IUPACmethyl 4-[[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CN(C)Cc2cc(-c3ccncc3)no2)cc1
InChIInChI=1S/C19H19N3O3/c1-22(12-14-3-5-16(6-4-14)19(23)24-2)13-17-11-18(21-25-17)15-7-9-20-10-8-15/h3-11H,12-13H2,1-2H3
InChIKeyYURPRBYNYPZSDC-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.16
Rot. Bonds6

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

methyl 4-[[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoate (PubChem CID 56915722) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is methyl 4-[[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoate
PubChem CID56915722
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Namemethyl 4-[[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CN(C)Cc2cc(-c3ccncc3)no2)cc1
InChIInChI=1S/C19H19N3O3/c1-22(12-14-3-5-16(6-4-14)19(23)24-2)13-17-11-18(21-25-17)15-7-9-20-10-8-15/h3-11H,12-13H2,1-2H3
InChIKeyYURPRBYNYPZSDC-UHFFFAOYSA-N
XLogP3.16
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoate?
The IUPAC name of methyl 4-[[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoate (CID 56915722) is methyl 4-[[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoate is COC(=O)c1ccc(CN(C)Cc2cc(-c3ccncc3)no2)cc1.
What is the InChIKey of methyl 4-[[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoate?
The InChIKey is YURPRBYNYPZSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-22(12-14-3-5-16(6-4-14)19(23)24-2)13-17-11-18(21-25-17)15-7-9-20-10-8-15/h3-11H,12-13H2,1-2H3.
What are the key properties of methyl 4-[[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoate?
methyl 4-[[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoate has a molecular weight of 337.38 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoate is sourced from PubChem (CID 56915722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).