methyl 3-[[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]methyl]furan-2-carboxylate

C14H12N2O5 — CID 43790129

IUPACmethyl 3-[[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C14H12N2O5/c1-19-13(17)12-8(4-5-20-12)7-15-9-2-3-11-10(6-9)16-14(18)21-11/h2-6,15H,7H2,1H3,(H,16,18)
InChIKeyRZXBWGVFSSRLOT-UHFFFAOYSA-N
MW288.26 g/mol
LogP2.11
Rot. Bonds4

About methyl 3-[[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]methyl]furan-2-carboxylate

methyl 3-[[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]methyl]furan-2-carboxylate (PubChem CID 43790129) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is methyl 3-[[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]methyl]furan-2-carboxylate
PubChem CID43790129
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Namemethyl 3-[[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C14H12N2O5/c1-19-13(17)12-8(4-5-20-12)7-15-9-2-3-11-10(6-9)16-14(18)21-11/h2-6,15H,7H2,1H3,(H,16,18)
InChIKeyRZXBWGVFSSRLOT-UHFFFAOYSA-N
XLogP2.11
TPSA97.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]methyl]furan-2-carboxylate (CID 43790129) is methyl 3-[[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]methyl]furan-2-carboxylate is COC(=O)c1occc1CNc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of methyl 3-[[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]methyl]furan-2-carboxylate?
The InChIKey is RZXBWGVFSSRLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c1-19-13(17)12-8(4-5-20-12)7-15-9-2-3-11-10(6-9)16-14(18)21-11/h2-6,15H,7H2,1H3,(H,16,18).
What are the key properties of methyl 3-[[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]methyl]furan-2-carboxylate?
methyl 3-[[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]methyl]furan-2-carboxylate has a molecular weight of 288.26 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 43790129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).