(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(furan-2-carbonylamino)benzoate

C18H16N2O5 — CID 4301629

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(furan-2-carbonylamino)benzoate
SMILESCc1noc(C)c1COC(=O)c1ccccc1NC(=O)c1ccco1
InChIInChI=1S/C18H16N2O5/c1-11-14(12(2)25-20-11)10-24-18(22)13-6-3-4-7-15(13)19-17(21)16-8-5-9-23-16/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyCJAXDWKUKBGOFL-UHFFFAOYSA-N
MW340.34 g/mol
LogP3.49
Rot. Bonds5

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(furan-2-carbonylamino)benzoate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(furan-2-carbonylamino)benzoate (PubChem CID 4301629) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(furan-2-carbonylamino)benzoate
PubChem CID4301629
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(furan-2-carbonylamino)benzoate
SMILESCc1noc(C)c1COC(=O)c1ccccc1NC(=O)c1ccco1
InChIInChI=1S/C18H16N2O5/c1-11-14(12(2)25-20-11)10-24-18(22)13-6-3-4-7-15(13)19-17(21)16-8-5-9-23-16/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyCJAXDWKUKBGOFL-UHFFFAOYSA-N
XLogP3.49
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(furan-2-carbonylamino)benzoate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(furan-2-carbonylamino)benzoate (CID 4301629) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(furan-2-carbonylamino)benzoate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(furan-2-carbonylamino)benzoate is Cc1noc(C)c1COC(=O)c1ccccc1NC(=O)c1ccco1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(furan-2-carbonylamino)benzoate?
The InChIKey is CJAXDWKUKBGOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-11-14(12(2)25-20-11)10-24-18(22)13-6-3-4-7-15(13)19-17(21)16-8-5-9-23-16/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(furan-2-carbonylamino)benzoate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(furan-2-carbonylamino)benzoate has a molecular weight of 340.34 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 4301629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).