2-(3-ethoxyphenyl)-6-(furan-2-yl)-1,3-benzoxazole

C19H15NO3 — CID 23026024

IUPAC2-(3-ethoxyphenyl)-6-(furan-2-yl)-1,3-benzoxazole
SMILESCCOc1cccc(-c2nc3ccc(-c4ccco4)cc3o2)c1
InChIInChI=1S/C19H15NO3/c1-2-21-15-6-3-5-14(11-15)19-20-16-9-8-13(12-18(16)23-19)17-7-4-10-22-17/h3-12H,2H2,1H3
InChIKeyKYXUTMQWKNIBII-UHFFFAOYSA-N
MW305.33 g/mol
LogP5.15
Rot. Bonds4

About 2-(3-ethoxyphenyl)-6-(furan-2-yl)-1,3-benzoxazole

2-(3-ethoxyphenyl)-6-(furan-2-yl)-1,3-benzoxazole (PubChem CID 23026024) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)-6-(furan-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)-6-(furan-2-yl)-1,3-benzoxazole
PubChem CID23026024
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name2-(3-ethoxyphenyl)-6-(furan-2-yl)-1,3-benzoxazole
SMILESCCOc1cccc(-c2nc3ccc(-c4ccco4)cc3o2)c1
InChIInChI=1S/C19H15NO3/c1-2-21-15-6-3-5-14(11-15)19-20-16-9-8-13(12-18(16)23-19)17-7-4-10-22-17/h3-12H,2H2,1H3
InChIKeyKYXUTMQWKNIBII-UHFFFAOYSA-N
XLogP5.15
TPSA48.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.33
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-(3-ethoxyphenyl)-1,3-benzoxazole
CID 23025986
2-[3-(2-methoxyethoxy)phenyl]-6-phenyl-1,3-benzoxazole
CID 23025912
2-(3,4-dichlorophenyl)-5-(furan-2-yl)-1,3-benzoxazole
CID 168527045
2-(11-bicyclo[6.5.0]trideca-1(13),8,10-trienyl)-6-(furan-2-yl)-1,3-benzoxazole
CID 142246861
6-bromo-2-[3-(cyclopropylmethoxy)phenyl]-1,3-benzoxazole
CID 23025812
6-methoxy-2-(3-methylphenyl)-1,3-benzoxazole
CID 135041335
[2-(3-ethoxyphenyl)-4-oxo-3,1-benzoxazin-6-yl] propanoate
CID 2228792
6-(2-fluorophenyl)-2-(3-phenoxyphenyl)-1,3-benzoxazole
CID 23026117
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]formamide
CID 168652805
2-[3-(1,3-benzoxazol-2-yl)phenoxy]acetic acid
CID 67428033
2-(furan-2-yl)-1,3-benzoxazol-6-amine
CID 43117917
[2-(furan-2-yl)-1,3-benzoxazol-6-yl]methanamine
CID 82357432

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)-6-(furan-2-yl)-1,3-benzoxazole?
The IUPAC name of 2-(3-ethoxyphenyl)-6-(furan-2-yl)-1,3-benzoxazole (CID 23026024) is 2-(3-ethoxyphenyl)-6-(furan-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(3-ethoxyphenyl)-6-(furan-2-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(3-ethoxyphenyl)-6-(furan-2-yl)-1,3-benzoxazole is CCOc1cccc(-c2nc3ccc(-c4ccco4)cc3o2)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)-6-(furan-2-yl)-1,3-benzoxazole?
The InChIKey is KYXUTMQWKNIBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c1-2-21-15-6-3-5-14(11-15)19-20-16-9-8-13(12-18(16)23-19)17-7-4-10-22-17/h3-12H,2H2,1H3.
What are the key properties of 2-(3-ethoxyphenyl)-6-(furan-2-yl)-1,3-benzoxazole?
2-(3-ethoxyphenyl)-6-(furan-2-yl)-1,3-benzoxazole has a molecular weight of 305.33 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)-6-(furan-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 23026024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).