5-ethoxy-2-[(5-ethoxy-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole

C19H18N2O4 — CID 23468058

IUPAC5-ethoxy-2-[(5-ethoxy-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole
SMILESCCOc1ccc2oc(Cc3nc4cc(OCC)ccc4o3)nc2c1
InChIInChI=1S/C19H18N2O4/c1-3-22-12-5-7-16-14(9-12)20-18(24-16)11-19-21-15-10-13(23-4-2)6-8-17(15)25-19/h5-10H,3-4,11H2,1-2H3
InChIKeyUMARGTBZFDMUQS-UHFFFAOYSA-N
MW338.36 g/mol
LogP4.36
Rot. Bonds6

About 5-ethoxy-2-[(5-ethoxy-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole

5-ethoxy-2-[(5-ethoxy-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole (PubChem CID 23468058) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 5-ethoxy-2-[(5-ethoxy-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-ethoxy-2-[(5-ethoxy-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole
PubChem CID23468058
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name5-ethoxy-2-[(5-ethoxy-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole
SMILESCCOc1ccc2oc(Cc3nc4cc(OCC)ccc4o3)nc2c1
InChIInChI=1S/C19H18N2O4/c1-3-22-12-5-7-16-14(9-12)20-18(24-16)11-19-21-15-10-13(23-4-2)6-8-17(15)25-19/h5-10H,3-4,11H2,1-2H3
InChIKeyUMARGTBZFDMUQS-UHFFFAOYSA-N
XLogP4.36
TPSA70.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-ethoxyphenyl)methyl]-1,3-benzoxazole-5-carboxylic acid
CID 83970968
2-(bromomethyl)-5-butoxy-1,3-benzoxazole
CID 89057547
3-[(2-ethyl-1,3-benzoxazol-5-yl)oxy]propan-1-amine
CID 117098165
2-ethyl-5-(oxiran-2-ylmethoxy)-1,3-benzoxazole
CID 45095365
5-tert-butyl-2-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole
CID 23468006
5-chloro-2-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole
CID 827452
5-ethoxy-2-methyl-1-benzofuran
CID 18726834
2-hexyl-5-methoxy-1,3-benzoxazole
CID 11276348
2-[(4-ethoxyphenyl)methyl]-1,3-benzoxazole-6-carboxylic acid
CID 83970975
N-ethyl-2-(5-methoxy-1,3-benzoxazol-2-yl)ethanamine
CID 102696814
2-[4-(4-ethoxyphenyl)phenyl]-5-methyl-1,3-benzoxazole
CID 102448915
2-(isocyanomethyl)-5-methoxy-1,3-benzoxazole
CID 83483455

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-[(5-ethoxy-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole?
The IUPAC name of 5-ethoxy-2-[(5-ethoxy-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole (CID 23468058) is 5-ethoxy-2-[(5-ethoxy-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole.
What is the SMILES notation for 5-ethoxy-2-[(5-ethoxy-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole?
The canonical SMILES for 5-ethoxy-2-[(5-ethoxy-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole is CCOc1ccc2oc(Cc3nc4cc(OCC)ccc4o3)nc2c1.
What is the InChIKey of 5-ethoxy-2-[(5-ethoxy-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole?
The InChIKey is UMARGTBZFDMUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-3-22-12-5-7-16-14(9-12)20-18(24-16)11-19-21-15-10-13(23-4-2)6-8-17(15)25-19/h5-10H,3-4,11H2,1-2H3.
What are the key properties of 5-ethoxy-2-[(5-ethoxy-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole?
5-ethoxy-2-[(5-ethoxy-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole has a molecular weight of 338.36 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-[(5-ethoxy-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole is sourced from PubChem (CID 23468058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).