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

C14H11NO4 — CID 139676404

IUPACmethyl 2-[2-(furan-2-yl)-1,3-benzoxazol-4-yl]acetate
SMILESCOC(=O)Cc1cccc2oc(-c3ccco3)nc12
InChIInChI=1S/C14H11NO4/c1-17-12(16)8-9-4-2-5-10-13(9)15-14(19-10)11-6-3-7-18-11/h2-7H,8H2,1H3
InChIKeyABODJUYRYWMFQY-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.80
Rot. Bonds3

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

methyl 2-[2-(furan-2-yl)-1,3-benzoxazol-4-yl]acetate (PubChem CID 139676404) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is methyl 2-[2-(furan-2-yl)-1,3-benzoxazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(furan-2-yl)-1,3-benzoxazol-4-yl]acetate
PubChem CID139676404
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Namemethyl 2-[2-(furan-2-yl)-1,3-benzoxazol-4-yl]acetate
SMILESCOC(=O)Cc1cccc2oc(-c3ccco3)nc12
InChIInChI=1S/C14H11NO4/c1-17-12(16)8-9-4-2-5-10-13(9)15-14(19-10)11-6-3-7-18-11/h2-7H,8H2,1H3
InChIKeyABODJUYRYWMFQY-UHFFFAOYSA-N
XLogP2.80
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-(3-chlorothiophen-2-yl)-1,3-benzoxazol-4-yl]acetate
CID 139676391
tert-butyl N-[(2R)-4-[2-(furan-2-yl)-1,3-benzoxazol-4-yl]-1-hydroxy-2-methylbutan-2-yl]carbamate
CID 91240404
methyl 2-[4-(furan-2-yl)phenyl]acetate
CID 168524506
methyl 2-(4-amino-1,3-benzoxazol-2-yl)acetate
CID 131332888
methyl 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate
CID 60670446
methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356446
(2-methoxy-1,3-benzoxazol-4-yl)methanol
CID 117277912
ethyl 2-(furan-2-yl)-5-methyl-1,3-oxazole-4-carboxylate
CID 86067764
methyl 2-(2-amino-1H-benzimidazol-4-yl)acetate
CID 131599439
2-[4-(2-ethoxy-2-oxoethyl)-1,3-benzoxazol-2-yl]-2-hydroxyacetic acid
CID 118803300
methyl 4-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]butanoate
CID 62013281
N,N-diethyl-2-(furan-2-yl)-1,3-benzoxazole-6-carboxamide
CID 171115267

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(furan-2-yl)-1,3-benzoxazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-(furan-2-yl)-1,3-benzoxazol-4-yl]acetate (CID 139676404) is methyl 2-[2-(furan-2-yl)-1,3-benzoxazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(furan-2-yl)-1,3-benzoxazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(furan-2-yl)-1,3-benzoxazol-4-yl]acetate is COC(=O)Cc1cccc2oc(-c3ccco3)nc12.
What is the InChIKey of methyl 2-[2-(furan-2-yl)-1,3-benzoxazol-4-yl]acetate?
The InChIKey is ABODJUYRYWMFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c1-17-12(16)8-9-4-2-5-10-13(9)15-14(19-10)11-6-3-7-18-11/h2-7H,8H2,1H3.
What are the key properties of methyl 2-[2-(furan-2-yl)-1,3-benzoxazol-4-yl]acetate?
methyl 2-[2-(furan-2-yl)-1,3-benzoxazol-4-yl]acetate has a molecular weight of 257.25 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(furan-2-yl)-1,3-benzoxazol-4-yl]acetate is sourced from PubChem (CID 139676404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).