5-(ethoxymethyl)-3-(2-ethyl-1-benzofuran-3-yl)-1,2-oxazole

C16H17NO3 — CID 154798994

IUPAC5-(ethoxymethyl)-3-(2-ethyl-1-benzofuran-3-yl)-1,2-oxazole
SMILESCCOCc1cc(-c2c(CC)oc3ccccc23)no1
InChIInChI=1S/C16H17NO3/c1-3-14-16(12-7-5-6-8-15(12)19-14)13-9-11(20-17-13)10-18-4-2/h5-9H,3-4,10H2,1-2H3
InChIKeyPNYYGOGWDOYGLQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP4.19
Rot. Bonds5

About 5-(ethoxymethyl)-3-(2-ethyl-1-benzofuran-3-yl)-1,2-oxazole

5-(ethoxymethyl)-3-(2-ethyl-1-benzofuran-3-yl)-1,2-oxazole (PubChem CID 154798994) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-(ethoxymethyl)-3-(2-ethyl-1-benzofuran-3-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-(ethoxymethyl)-3-(2-ethyl-1-benzofuran-3-yl)-1,2-oxazole
PubChem CID154798994
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name5-(ethoxymethyl)-3-(2-ethyl-1-benzofuran-3-yl)-1,2-oxazole
SMILESCCOCc1cc(-c2c(CC)oc3ccccc23)no1
InChIInChI=1S/C16H17NO3/c1-3-14-16(12-7-5-6-8-15(12)19-14)13-9-11(20-17-13)10-18-4-2/h5-9H,3-4,10H2,1-2H3
InChIKeyPNYYGOGWDOYGLQ-UHFFFAOYSA-N
XLogP4.19
TPSA48.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-11-phenylindeno[1,2-c]chromene
CID 135026669
4-(2-ethyl-1-benzofuran-3-yl)-1-methylimidazole-2-carbaldehyde
CID 58933006
2-(ethoxymethyl)-1-benzofuran-3-carbohydrazide
CID 55213785
2-(2-ethyl-1-benzofuran-3-yl)-5-fluoroaniline
CID 62957680
2-chloro-4-(2-ethyl-1-benzofuran-3-yl)-5-methylaniline
CID 104668341
4-(2-ethyl-1-benzofuran-3-yl)-3-methylaniline
CID 62956805
N-[[3-(ethoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 62443711
7-(ethoxymethyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 170228909
(3-phenyl-1,2-oxazol-5-yl)methyl 4-oxochromene-2-carboxylate
CID 37136414
bis[3-chloro-2-(2-ethyl-1-benzofuran-3-yl)-4-hydroxyphenyl]methanone
CID 54365697
3-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide;hydrochloride
CID 119273988
2-(ethoxymethyl)-4-methyl-[1]benzofuro[3,2-d]pyrimidine
CID 171560459

Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-3-(2-ethyl-1-benzofuran-3-yl)-1,2-oxazole?
The IUPAC name of 5-(ethoxymethyl)-3-(2-ethyl-1-benzofuran-3-yl)-1,2-oxazole (CID 154798994) is 5-(ethoxymethyl)-3-(2-ethyl-1-benzofuran-3-yl)-1,2-oxazole.
What is the SMILES notation for 5-(ethoxymethyl)-3-(2-ethyl-1-benzofuran-3-yl)-1,2-oxazole?
The canonical SMILES for 5-(ethoxymethyl)-3-(2-ethyl-1-benzofuran-3-yl)-1,2-oxazole is CCOCc1cc(-c2c(CC)oc3ccccc23)no1.
What is the InChIKey of 5-(ethoxymethyl)-3-(2-ethyl-1-benzofuran-3-yl)-1,2-oxazole?
The InChIKey is PNYYGOGWDOYGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-3-14-16(12-7-5-6-8-15(12)19-14)13-9-11(20-17-13)10-18-4-2/h5-9H,3-4,10H2,1-2H3.
What are the key properties of 5-(ethoxymethyl)-3-(2-ethyl-1-benzofuran-3-yl)-1,2-oxazole?
5-(ethoxymethyl)-3-(2-ethyl-1-benzofuran-3-yl)-1,2-oxazole has a molecular weight of 271.32 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-3-(2-ethyl-1-benzofuran-3-yl)-1,2-oxazole is sourced from PubChem (CID 154798994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).