6-methoxy-2-(6-propoxy-3-pyridinyl)-1,3-benzoxazole

C16H16N2O3 — CID 71148352

IUPAC6-methoxy-2-(6-propoxy-3-pyridinyl)-1,3-benzoxazole
SMILESCCCOc1ccc(-c2nc3ccc(OC)cc3o2)cn1
InChIInChI=1S/C16H16N2O3/c1-3-8-20-15-7-4-11(10-17-15)16-18-13-6-5-12(19-2)9-14(13)21-16/h4-7,9-10H,3,8H2,1-2H3
InChIKeyCDBBBXLNVWZBKB-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.69
Rot. Bonds5

About 6-methoxy-2-(6-propoxy-3-pyridinyl)-1,3-benzoxazole

6-methoxy-2-(6-propoxy-3-pyridinyl)-1,3-benzoxazole (PubChem CID 71148352) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 6-methoxy-2-(6-propoxy-3-pyridinyl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-methoxy-2-(6-propoxy-3-pyridinyl)-1,3-benzoxazole
PubChem CID71148352
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name6-methoxy-2-(6-propoxy-3-pyridinyl)-1,3-benzoxazole
SMILESCCCOc1ccc(-c2nc3ccc(OC)cc3o2)cn1
InChIInChI=1S/C16H16N2O3/c1-3-8-20-15-7-4-11(10-17-15)16-18-13-6-5-12(19-2)9-14(13)21-16/h4-7,9-10H,3,8H2,1-2H3
InChIKeyCDBBBXLNVWZBKB-UHFFFAOYSA-N
XLogP3.69
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(6-methoxy-1,3-benzoxazol-2-yl)-N,N-dimethylpyrimidin-2-amine
CID 24780658
N-(2-fluoroethyl)-5-(6-methoxy-1,3-benzoxazol-2-yl)pyrimidin-2-amine
CID 24780802
4-(6-butoxy-1,3-benzoxazol-2-yl)aniline
CID 129018379
5-(6-methoxy-1,3-benzoxazol-2-yl)-N-phenylpyrimidin-2-amine
CID 59203844
[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]methanol
CID 15629818
6-methoxy-2-(3-methylphenyl)-1,3-benzoxazole
CID 135041335
methyl 2-[6-(6-methoxy-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxyacetate
CID 151661661
N-(2-fluoroethyl)-5-[6-(tritritiomethoxy)-1,3-benzoxazol-2-yl]pyridin-2-amine
CID 70695505
2-ethoxy-6-methoxy-1,3-benzoxazole
CID 130837090
ethyl 6-[6-(6-methoxy-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxyhexanoate
CID 11743593
5-[(5-methoxy-2-pyridinyl)oxymethyl]-2-pyridin-3-yl-1,3-benzoxazole
CID 118905305
2-hydroxy-1-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]ethanone
CID 149261528

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(6-propoxy-3-pyridinyl)-1,3-benzoxazole?
The IUPAC name of 6-methoxy-2-(6-propoxy-3-pyridinyl)-1,3-benzoxazole (CID 71148352) is 6-methoxy-2-(6-propoxy-3-pyridinyl)-1,3-benzoxazole.
What is the SMILES notation for 6-methoxy-2-(6-propoxy-3-pyridinyl)-1,3-benzoxazole?
The canonical SMILES for 6-methoxy-2-(6-propoxy-3-pyridinyl)-1,3-benzoxazole is CCCOc1ccc(-c2nc3ccc(OC)cc3o2)cn1.
What is the InChIKey of 6-methoxy-2-(6-propoxy-3-pyridinyl)-1,3-benzoxazole?
The InChIKey is CDBBBXLNVWZBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-3-8-20-15-7-4-11(10-17-15)16-18-13-6-5-12(19-2)9-14(13)21-16/h4-7,9-10H,3,8H2,1-2H3.
What are the key properties of 6-methoxy-2-(6-propoxy-3-pyridinyl)-1,3-benzoxazole?
6-methoxy-2-(6-propoxy-3-pyridinyl)-1,3-benzoxazole has a molecular weight of 284.31 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(6-propoxy-3-pyridinyl)-1,3-benzoxazole is sourced from PubChem (CID 71148352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).