methyl 2-[2-(furan-3-yl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate

C20H12N2O5 — CID 122413219

IUPACmethyl 2-[2-(furan-3-yl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate
SMILESCOC(=O)c1cccc2oc(-c3cccc4oc(-c5ccoc5)nc34)nc12
InChIInChI=1S/C20H12N2O5/c1-24-20(23)13-5-3-7-15-17(13)22-19(27-15)12-4-2-6-14-16(12)21-18(26-14)11-8-9-25-10-11/h2-10H,1H3
InChIKeyXMUPVZLXFGLTRO-UHFFFAOYSA-N
MW360.33 g/mol
LogP4.68
Rot. Bonds3

About methyl 2-[2-(furan-3-yl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate

methyl 2-[2-(furan-3-yl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate (PubChem CID 122413219) has the molecular formula C20H12N2O5 and a molecular weight of 360.33 g/mol. Its IUPAC name is methyl 2-[2-(furan-3-yl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(furan-3-yl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate
PubChem CID122413219
Molecular FormulaC20H12N2O5
Molecular Weight360.33 g/mol
Exact Mass360.07
IUPAC Namemethyl 2-[2-(furan-3-yl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate
SMILESCOC(=O)c1cccc2oc(-c3cccc4oc(-c5ccoc5)nc34)nc12
InChIInChI=1S/C20H12N2O5/c1-24-20(23)13-5-3-7-15-17(13)22-19(27-15)12-4-2-6-14-16(12)21-18(26-14)11-8-9-25-10-11/h2-10H,1H3
InChIKeyXMUPVZLXFGLTRO-UHFFFAOYSA-N
XLogP4.68
TPSA91.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.33
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[2-(furan-3-yl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate with MolForge

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Related Compounds

methyl 2-[2-(2-aminophenyl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate
CID 122415158
methyl 2-(2-acetamidophenyl)-1,3-benzoxazole-4-carboxylate
CID 122374310
methyl 2-(2-butoxyphenyl)-1,3-benzoxazole-4-carboxylate
CID 122415167
methyl 2-methyl-1,3-benzoxazole-4-carboxylate
CID 14616762
methyl 2-[2-[(2-hydroxybenzoyl)amino]-3-methoxyphenyl]-1,3-benzoxazole-4-carboxylate
CID 25157807
methyl 2-ethyl-1,3-benzoxazole-4-carboxylate
CID 59625681
methyl 3-(4-methyl-1,3-benzoxazol-2-yl)benzoate
CID 67279845
methyl 2-[(3S,5S)-3,5-dimethylmorpholin-4-yl]-1,3-benzoxazole-4-carboxylate
CID 66873866
methyl 2-(4-methylpiperazin-1-yl)-1,3-benzoxazole-4-carboxylate
CID 66874717
2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 135957253
2-(2-fluoro-3-methylphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 81479496
(2-methyl-1,3-benzoxazol-4-yl)methanol;methyl 2-methyl-1,3-benzoxazole-4-carboxylate
CID 158641727

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(furan-3-yl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate?
The IUPAC name of methyl 2-[2-(furan-3-yl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate (CID 122413219) is methyl 2-[2-(furan-3-yl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[2-(furan-3-yl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate?
The canonical SMILES for methyl 2-[2-(furan-3-yl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate is COC(=O)c1cccc2oc(-c3cccc4oc(-c5ccoc5)nc34)nc12.
What is the InChIKey of methyl 2-[2-(furan-3-yl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate?
The InChIKey is XMUPVZLXFGLTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2O5/c1-24-20(23)13-5-3-7-15-17(13)22-19(27-15)12-4-2-6-14-16(12)21-18(26-14)11-8-9-25-10-11/h2-10H,1H3.
What are the key properties of methyl 2-[2-(furan-3-yl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate?
methyl 2-[2-(furan-3-yl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate has a molecular weight of 360.33 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(furan-3-yl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate is sourced from PubChem (CID 122413219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).