2-(2-ethyl-1H-imidazol-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole

C18H16N4O2 — CID 122447548

IUPAC2-(2-ethyl-1H-imidazol-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole
SMILESCCc1ncc(-c2nc3ccc(-c4cncc(OC)c4)cc3o2)[nH]1
InChIInChI=1S/C18H16N4O2/c1-3-17-20-10-15(21-17)18-22-14-5-4-11(7-16(14)24-18)12-6-13(23-2)9-19-8-12/h4-10H,3H2,1-2H3,(H,20,21)
InChIKeyCURIOIXINWONMD-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.85
Rot. Bonds4

About 2-(2-ethyl-1H-imidazol-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole

2-(2-ethyl-1H-imidazol-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole (PubChem CID 122447548) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-(2-ethyl-1H-imidazol-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2-ethyl-1H-imidazol-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole
PubChem CID122447548
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name2-(2-ethyl-1H-imidazol-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole
SMILESCCc1ncc(-c2nc3ccc(-c4cncc(OC)c4)cc3o2)[nH]1
InChIInChI=1S/C18H16N4O2/c1-3-17-20-10-15(21-17)18-22-14-5-4-11(7-16(14)24-18)12-6-13(23-2)9-19-8-12/h4-10H,3H2,1-2H3,(H,20,21)
InChIKeyCURIOIXINWONMD-UHFFFAOYSA-N
XLogP3.85
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(5-methoxy-3-pyridinyl)-2-(3H-pyrrol-2-yl)-1,3-benzoxazole
CID 147844868
6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole-2-carbaldehyde
CID 122447531
(E)-2-[6-(5-methoxy-3-pyridinyl)-1,3-benzoxazol-2-yl]-N-methylethenamine
CID 122495018
5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-N,N-dimethylpyridin-3-amine
CID 122447513
6-methoxy-2-(6-propoxy-3-pyridinyl)-1,3-benzoxazole
CID 71148352
2-[3-(2-methoxyethoxy)phenyl]-6-phenyl-1,3-benzoxazole
CID 23025912
2-(1H-benzimidazol-2-yl)-6-(6-fluoro-5-methoxy-3-pyridinyl)-1,3-benzoxazole
CID 122447487
2-(3-ethoxyphenyl)-6-(furan-2-yl)-1,3-benzoxazole
CID 23026024
5-(5-methoxy-3-pyridinyl)-2-pyridin-2-yl-1H-indole
CID 146451960
2-(4-methoxyphenyl)-6-nitro-1,3-benzoxazole
CID 887499
5-(2-ethyl-1H-imidazol-5-yl)-2-methoxyaniline
CID 115030164
[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]methanol
CID 15629818

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1H-imidazol-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole?
The IUPAC name of 2-(2-ethyl-1H-imidazol-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole (CID 122447548) is 2-(2-ethyl-1H-imidazol-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(2-ethyl-1H-imidazol-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole?
The canonical SMILES for 2-(2-ethyl-1H-imidazol-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole is CCc1ncc(-c2nc3ccc(-c4cncc(OC)c4)cc3o2)[nH]1.
What is the InChIKey of 2-(2-ethyl-1H-imidazol-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole?
The InChIKey is CURIOIXINWONMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-3-17-20-10-15(21-17)18-22-14-5-4-11(7-16(14)24-18)12-6-13(23-2)9-19-8-12/h4-10H,3H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-ethyl-1H-imidazol-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole?
2-(2-ethyl-1H-imidazol-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole has a molecular weight of 320.35 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1H-imidazol-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole is sourced from PubChem (CID 122447548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).