methyl 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]benzoate

C16H12N2O5 — CID 6619217

IUPACmethyl 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc(-c2ccco2)on1
InChIInChI=1S/C16H12N2O5/c1-21-16(20)10-5-2-3-6-11(10)17-15(19)12-9-14(23-18-12)13-7-4-8-22-13/h2-9H,1H3,(H,17,19)
InChIKeyUOHUDWBFUHOEKF-UHFFFAOYSA-N
MW312.28 g/mol
LogP2.97
Rot. Bonds4

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

methyl 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]benzoate (PubChem CID 6619217) has the molecular formula C16H12N2O5 and a molecular weight of 312.28 g/mol. Its IUPAC name is methyl 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]benzoate
PubChem CID6619217
Molecular FormulaC16H12N2O5
Molecular Weight312.28 g/mol
Exact Mass312.07
IUPAC Namemethyl 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc(-c2ccco2)on1
InChIInChI=1S/C16H12N2O5/c1-21-16(20)10-5-2-3-6-11(10)17-15(19)12-9-14(23-18-12)13-7-4-8-22-13/h2-9H,1H3,(H,17,19)
InChIKeyUOHUDWBFUHOEKF-UHFFFAOYSA-N
XLogP2.97
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]benzoate (CID 6619217) is methyl 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cc(-c2ccco2)on1.
What is the InChIKey of methyl 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]benzoate?
The InChIKey is UOHUDWBFUHOEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O5/c1-21-16(20)10-5-2-3-6-11(10)17-15(19)12-9-14(23-18-12)13-7-4-8-22-13/h2-9H,1H3,(H,17,19).
What are the key properties of methyl 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]benzoate?
methyl 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]benzoate has a molecular weight of 312.28 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]benzoate is sourced from PubChem (CID 6619217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).