methyl 2-[[2-[5-(furan-2-yl)-1,2-oxazol-3-yl]acetyl]amino]benzoate

C17H14N2O5 — CID 30850547

IUPACmethyl 2-[[2-[5-(furan-2-yl)-1,2-oxazol-3-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cc1cc(-c2ccco2)on1
InChIInChI=1S/C17H14N2O5/c1-22-17(21)12-5-2-3-6-13(12)18-16(20)10-11-9-15(24-19-11)14-7-4-8-23-14/h2-9H,10H2,1H3,(H,18,20)
InChIKeyCBWQPKNOXPRWMW-UHFFFAOYSA-N
MW326.31 g/mol
LogP2.90
Rot. Bonds5

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

methyl 2-[[2-[5-(furan-2-yl)-1,2-oxazol-3-yl]acetyl]amino]benzoate (PubChem CID 30850547) has the molecular formula C17H14N2O5 and a molecular weight of 326.31 g/mol. Its IUPAC name is methyl 2-[[2-[5-(furan-2-yl)-1,2-oxazol-3-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[5-(furan-2-yl)-1,2-oxazol-3-yl]acetyl]amino]benzoate
PubChem CID30850547
Molecular FormulaC17H14N2O5
Molecular Weight326.31 g/mol
Exact Mass326.09
IUPAC Namemethyl 2-[[2-[5-(furan-2-yl)-1,2-oxazol-3-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cc1cc(-c2ccco2)on1
InChIInChI=1S/C17H14N2O5/c1-22-17(21)12-5-2-3-6-13(12)18-16(20)10-11-9-15(24-19-11)14-7-4-8-23-14/h2-9H,10H2,1H3,(H,18,20)
InChIKeyCBWQPKNOXPRWMW-UHFFFAOYSA-N
XLogP2.90
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-[5-(furan-2-yl)-1,2-oxazol-3-yl]acetyl]amino]benzoate with MolForge

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Related Compounds

[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-[(2-phenylacetyl)amino]benzoate
CID 8809666
2-[[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzamide
CID 16879078
N-(2-benzoylphenyl)-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]acetamide
CID 17254324
methyl 2,4-difluoro-5-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 24666831
N-cyclopropyl-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 34324340
methyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]benzoate
CID 35727693
2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 46635996
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 30608053
methyl 2-[[2-(furan-2-ylmethylsulfanyl)acetyl]amino]benzoate
CID 112780982
N-cyclopentyl-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 24664133
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8551086
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dimethylbutanamide
CID 118334208

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[5-(furan-2-yl)-1,2-oxazol-3-yl]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[5-(furan-2-yl)-1,2-oxazol-3-yl]acetyl]amino]benzoate (CID 30850547) is methyl 2-[[2-[5-(furan-2-yl)-1,2-oxazol-3-yl]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[5-(furan-2-yl)-1,2-oxazol-3-yl]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[5-(furan-2-yl)-1,2-oxazol-3-yl]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)Cc1cc(-c2ccco2)on1.
What is the InChIKey of methyl 2-[[2-[5-(furan-2-yl)-1,2-oxazol-3-yl]acetyl]amino]benzoate?
The InChIKey is CBWQPKNOXPRWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5/c1-22-17(21)12-5-2-3-6-13(12)18-16(20)10-11-9-15(24-19-11)14-7-4-8-23-14/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of methyl 2-[[2-[5-(furan-2-yl)-1,2-oxazol-3-yl]acetyl]amino]benzoate?
methyl 2-[[2-[5-(furan-2-yl)-1,2-oxazol-3-yl]acetyl]amino]benzoate has a molecular weight of 326.31 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[5-(furan-2-yl)-1,2-oxazol-3-yl]acetyl]amino]benzoate is sourced from PubChem (CID 30850547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).