methyl 3-[[2-(benzimidazol-1-ylmethyl)-1,3-oxazole-4-carbonyl]amino]propanoate

C16H16N4O4 — CID 25288265

IUPACmethyl 3-[[2-(benzimidazol-1-ylmethyl)-1,3-oxazole-4-carbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)c1coc(Cn2cnc3ccccc32)n1
InChIInChI=1S/C16H16N4O4/c1-23-15(21)6-7-17-16(22)12-9-24-14(19-12)8-20-10-18-11-4-2-3-5-13(11)20/h2-5,9-10H,6-8H2,1H3,(H,17,22)
InChIKeyMGJYLANJKPWXGP-UHFFFAOYSA-N
MW328.33 g/mol
LogP1.37
Rot. Bonds6

About methyl 3-[[2-(benzimidazol-1-ylmethyl)-1,3-oxazole-4-carbonyl]amino]propanoate

methyl 3-[[2-(benzimidazol-1-ylmethyl)-1,3-oxazole-4-carbonyl]amino]propanoate (PubChem CID 25288265) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is methyl 3-[[2-(benzimidazol-1-ylmethyl)-1,3-oxazole-4-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(benzimidazol-1-ylmethyl)-1,3-oxazole-4-carbonyl]amino]propanoate
PubChem CID25288265
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC Namemethyl 3-[[2-(benzimidazol-1-ylmethyl)-1,3-oxazole-4-carbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)c1coc(Cn2cnc3ccccc32)n1
InChIInChI=1S/C16H16N4O4/c1-23-15(21)6-7-17-16(22)12-9-24-14(19-12)8-20-10-18-11-4-2-3-5-13(11)20/h2-5,9-10H,6-8H2,1H3,(H,17,22)
InChIKeyMGJYLANJKPWXGP-UHFFFAOYSA-N
XLogP1.37
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(benzimidazol-1-ylmethyl)-1,3-oxazole-4-carbonyl]amino]propanoate?
The IUPAC name of methyl 3-[[2-(benzimidazol-1-ylmethyl)-1,3-oxazole-4-carbonyl]amino]propanoate (CID 25288265) is methyl 3-[[2-(benzimidazol-1-ylmethyl)-1,3-oxazole-4-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[2-(benzimidazol-1-ylmethyl)-1,3-oxazole-4-carbonyl]amino]propanoate?
The canonical SMILES for methyl 3-[[2-(benzimidazol-1-ylmethyl)-1,3-oxazole-4-carbonyl]amino]propanoate is COC(=O)CCNC(=O)c1coc(Cn2cnc3ccccc32)n1.
What is the InChIKey of methyl 3-[[2-(benzimidazol-1-ylmethyl)-1,3-oxazole-4-carbonyl]amino]propanoate?
The InChIKey is MGJYLANJKPWXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4/c1-23-15(21)6-7-17-16(22)12-9-24-14(19-12)8-20-10-18-11-4-2-3-5-13(11)20/h2-5,9-10H,6-8H2,1H3,(H,17,22).
What are the key properties of methyl 3-[[2-(benzimidazol-1-ylmethyl)-1,3-oxazole-4-carbonyl]amino]propanoate?
methyl 3-[[2-(benzimidazol-1-ylmethyl)-1,3-oxazole-4-carbonyl]amino]propanoate has a molecular weight of 328.33 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(benzimidazol-1-ylmethyl)-1,3-oxazole-4-carbonyl]amino]propanoate is sourced from PubChem (CID 25288265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).