2-(3,4-dimethoxyphenyl)-6-fluoro-1,3-benzoxazole

C15H12FNO3 — CID 25034610

IUPAC2-(3,4-dimethoxyphenyl)-6-fluoro-1,3-benzoxazole
SMILESCOc1ccc(-c2nc3ccc(F)cc3o2)cc1OC
InChIInChI=1S/C15H12FNO3/c1-18-12-6-3-9(7-14(12)19-2)15-17-11-5-4-10(16)8-13(11)20-15/h3-8H,1-2H3
InChIKeyQVVNPEBJIPHTAY-UHFFFAOYSA-N
MW273.26 g/mol
LogP3.65
Rot. Bonds3

About 2-(3,4-dimethoxyphenyl)-6-fluoro-1,3-benzoxazole

2-(3,4-dimethoxyphenyl)-6-fluoro-1,3-benzoxazole (PubChem CID 25034610) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-6-fluoro-1,3-benzoxazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-6-fluoro-1,3-benzoxazole
PubChem CID25034610
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Name2-(3,4-dimethoxyphenyl)-6-fluoro-1,3-benzoxazole
SMILESCOc1ccc(-c2nc3ccc(F)cc3o2)cc1OC
InChIInChI=1S/C15H12FNO3/c1-18-12-6-3-9(7-14(12)19-2)15-17-11-5-4-10(16)8-13(11)20-15/h3-8H,1-2H3
InChIKeyQVVNPEBJIPHTAY-UHFFFAOYSA-N
XLogP3.65
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(6-fluoro-1,3-benzoxazol-2-yl)-2-methoxyaniline
CID 63744297
[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-6-yl]methanol
CID 82357784
2-(3,4-dimethoxyphenyl)-5-methyl-1,3-benzoxazole
CID 3159469
5-(6-fluoro-1,3-benzoxazol-2-yl)-2-methylaniline
CID 63675449
5-fluoro-2-(3-methoxy-4-pyridin-2-ylphenyl)-1,3-benzoxazole
CID 10215538
2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-6-amine
CID 54910238
4-(6-fluoro-1,3-benzoxazol-2-yl)benzaldehyde
CID 142573895
N-[(3,4-dimethoxyphenyl)methyl]-6-fluoro-N-methyl-1,3-benzoxazol-2-amine
CID 171323965
2-(3,4-dimethoxyphenyl)-1,3-benzoxazole-5-carboxylic acid
CID 11688023
2-[[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]propanedinitrile
CID 168543199
N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-6-yl]carbamothioyl]-4-methylbenzamide
CID 73254672
2-(3,4-dimethoxyphenyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine
CID 82337852

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-6-fluoro-1,3-benzoxazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-6-fluoro-1,3-benzoxazole (CID 25034610) is 2-(3,4-dimethoxyphenyl)-6-fluoro-1,3-benzoxazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-6-fluoro-1,3-benzoxazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-6-fluoro-1,3-benzoxazole is COc1ccc(-c2nc3ccc(F)cc3o2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-6-fluoro-1,3-benzoxazole?
The InChIKey is QVVNPEBJIPHTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3/c1-18-12-6-3-9(7-14(12)19-2)15-17-11-5-4-10(16)8-13(11)20-15/h3-8H,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-6-fluoro-1,3-benzoxazole?
2-(3,4-dimethoxyphenyl)-6-fluoro-1,3-benzoxazole has a molecular weight of 273.26 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-6-fluoro-1,3-benzoxazole is sourced from PubChem (CID 25034610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).