methyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzotriazole-5-carboxylate

C15H14N4O5 — CID 7705969

IUPACmethyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzotriazole-5-carboxylate
SMILESCOC(=O)c1ccc2nnn(OCC(=O)NCc3ccco3)c2c1
InChIInChI=1S/C15H14N4O5/c1-22-15(21)10-4-5-12-13(7-10)19(18-17-12)24-9-14(20)16-8-11-3-2-6-23-11/h2-7H,8-9H2,1H3,(H,16,20)
InChIKeyBVHPFUSDNKQIQL-UHFFFAOYSA-N
MW330.30 g/mol
LogP0.56
Rot. Bonds6

About methyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzotriazole-5-carboxylate

methyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzotriazole-5-carboxylate (PubChem CID 7705969) has the molecular formula C15H14N4O5 and a molecular weight of 330.30 g/mol. Its IUPAC name is methyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzotriazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzotriazole-5-carboxylate
PubChem CID7705969
Molecular FormulaC15H14N4O5
Molecular Weight330.30 g/mol
Exact Mass330.10
IUPAC Namemethyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzotriazole-5-carboxylate
SMILESCOC(=O)c1ccc2nnn(OCC(=O)NCc3ccco3)c2c1
InChIInChI=1S/C15H14N4O5/c1-22-15(21)10-4-5-12-13(7-10)19(18-17-12)24-9-14(20)16-8-11-3-2-6-23-11/h2-7H,8-9H2,1H3,(H,16,20)
InChIKeyBVHPFUSDNKQIQL-UHFFFAOYSA-N
XLogP0.56
TPSA108.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzoate
CID 7671527
methyl 3-[2-(2-fluoroanilino)-2-oxoethoxy]benzotriazole-5-carboxylate
CID 7706094
methyl 3-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]benzotriazole-5-carboxylate
CID 7706071
methyl 3-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]benzotriazole-5-carboxylate
CID 7705944
methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]triazole-4-carboxylate
CID 103627033
4-O-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 9116888
N-(furan-2-ylmethyl)-2-quinoxalin-6-yloxyacetamide
CID 51362583
ethyl 1-ethyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylbenzimidazol-1-ium-5-carboxylate
CID 8829851
methyl 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate
CID 2673547
methyl 4-[[5-(furan-2-ylmethylcarbamoyl)pyridine-3-carbonyl]amino]benzoate
CID 109104940
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2714972
2-(6-chlorobenzotriazol-1-yl)oxy-N-propylacetamide
CID 7696914

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzotriazole-5-carboxylate?
The IUPAC name of methyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzotriazole-5-carboxylate (CID 7705969) is methyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzotriazole-5-carboxylate.
What is the SMILES notation for methyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzotriazole-5-carboxylate?
The canonical SMILES for methyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzotriazole-5-carboxylate is COC(=O)c1ccc2nnn(OCC(=O)NCc3ccco3)c2c1.
What is the InChIKey of methyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzotriazole-5-carboxylate?
The InChIKey is BVHPFUSDNKQIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O5/c1-22-15(21)10-4-5-12-13(7-10)19(18-17-12)24-9-14(20)16-8-11-3-2-6-23-11/h2-7H,8-9H2,1H3,(H,16,20).
What are the key properties of methyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzotriazole-5-carboxylate?
methyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzotriazole-5-carboxylate has a molecular weight of 330.30 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzotriazole-5-carboxylate is sourced from PubChem (CID 7705969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).