5-(6-fluoro-1,3-benzoxazol-2-yl)-2-methoxyaniline

C14H11FN2O2 — CID 63744297

IUPAC5-(6-fluoro-1,3-benzoxazol-2-yl)-2-methoxyaniline
SMILESCOc1ccc(-c2nc3ccc(F)cc3o2)cc1N
InChIInChI=1S/C14H11FN2O2/c1-18-12-5-2-8(6-10(12)16)14-17-11-4-3-9(15)7-13(11)19-14/h2-7H,16H2,1H3
InChIKeyWBNFVCQGSLQPGW-UHFFFAOYSA-N
MW258.25 g/mol
LogP3.22
Rot. Bonds2

About 5-(6-fluoro-1,3-benzoxazol-2-yl)-2-methoxyaniline

5-(6-fluoro-1,3-benzoxazol-2-yl)-2-methoxyaniline (PubChem CID 63744297) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is 5-(6-fluoro-1,3-benzoxazol-2-yl)-2-methoxyaniline.

Molecular Properties

Compound Name5-(6-fluoro-1,3-benzoxazol-2-yl)-2-methoxyaniline
PubChem CID63744297
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC Name5-(6-fluoro-1,3-benzoxazol-2-yl)-2-methoxyaniline
SMILESCOc1ccc(-c2nc3ccc(F)cc3o2)cc1N
InChIInChI=1S/C14H11FN2O2/c1-18-12-5-2-8(6-10(12)16)14-17-11-4-3-9(15)7-13(11)19-14/h2-7H,16H2,1H3
InChIKeyWBNFVCQGSLQPGW-UHFFFAOYSA-N
XLogP3.22
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethoxyphenyl)-6-fluoro-1,3-benzoxazole
CID 25034610
5-(6-fluoro-1,3-benzoxazol-2-yl)-2-methylaniline
CID 63675449
2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-6-amine
CID 54910238
[2-(3-amino-4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanol
CID 83970982
2-fluoro-4-(6-methyl-1,3-benzoxazol-2-yl)aniline
CID 55158304
[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-6-yl]methanol
CID 82357784
4-(6-fluoro-1,3-benzoxazol-2-yl)benzaldehyde
CID 142573895
5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067
5-(4-fluoro-2-methylphenyl)-2-methoxyaniline
CID 54971518
5-fluoro-2-(3-methoxy-4-pyridin-2-ylphenyl)-1,3-benzoxazole
CID 10215538
4-(6-fluoro-1,3-benzoxazol-2-yl)-3-methylaniline
CID 63675808
2-(2-methoxyphenyl)-1,3-benzoxazol-6-amine
CID 28932063

Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-1,3-benzoxazol-2-yl)-2-methoxyaniline?
The IUPAC name of 5-(6-fluoro-1,3-benzoxazol-2-yl)-2-methoxyaniline (CID 63744297) is 5-(6-fluoro-1,3-benzoxazol-2-yl)-2-methoxyaniline.
What is the SMILES notation for 5-(6-fluoro-1,3-benzoxazol-2-yl)-2-methoxyaniline?
The canonical SMILES for 5-(6-fluoro-1,3-benzoxazol-2-yl)-2-methoxyaniline is COc1ccc(-c2nc3ccc(F)cc3o2)cc1N.
What is the InChIKey of 5-(6-fluoro-1,3-benzoxazol-2-yl)-2-methoxyaniline?
The InChIKey is WBNFVCQGSLQPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c1-18-12-5-2-8(6-10(12)16)14-17-11-4-3-9(15)7-13(11)19-14/h2-7H,16H2,1H3.
What are the key properties of 5-(6-fluoro-1,3-benzoxazol-2-yl)-2-methoxyaniline?
5-(6-fluoro-1,3-benzoxazol-2-yl)-2-methoxyaniline has a molecular weight of 258.25 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-1,3-benzoxazol-2-yl)-2-methoxyaniline is sourced from PubChem (CID 63744297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).