2-(4-fluoro-3-methoxyphenyl)-1,3-benzoxazol-4-amine

C14H11FN2O2 — CID 81284777

IUPAC2-(4-fluoro-3-methoxyphenyl)-1,3-benzoxazol-4-amine
SMILESCOc1cc(-c2nc3c(N)cccc3o2)ccc1F
InChIInChI=1S/C14H11FN2O2/c1-18-12-7-8(5-6-9(12)15)14-17-13-10(16)3-2-4-11(13)19-14/h2-7H,16H2,1H3
InChIKeyWTZBJXGFHZRZRY-UHFFFAOYSA-N
MW258.25 g/mol
LogP3.22
Rot. Bonds2

About 2-(4-fluoro-3-methoxyphenyl)-1,3-benzoxazol-4-amine

2-(4-fluoro-3-methoxyphenyl)-1,3-benzoxazol-4-amine (PubChem CID 81284777) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is 2-(4-fluoro-3-methoxyphenyl)-1,3-benzoxazol-4-amine.

Molecular Properties

Compound Name2-(4-fluoro-3-methoxyphenyl)-1,3-benzoxazol-4-amine
PubChem CID81284777
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC Name2-(4-fluoro-3-methoxyphenyl)-1,3-benzoxazol-4-amine
SMILESCOc1cc(-c2nc3c(N)cccc3o2)ccc1F
InChIInChI=1S/C14H11FN2O2/c1-18-12-7-8(5-6-9(12)15)14-17-13-10(16)3-2-4-11(13)19-14/h2-7H,16H2,1H3
InChIKeyWTZBJXGFHZRZRY-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-bromo-5-(4-methoxy-1,3-benzoxazol-2-yl)aniline
CID 107813887
2-(3-iodophenyl)-1,3-benzoxazol-4-amine
CID 79022155
4-chloro-2-(4-methoxy-1,3-benzoxazol-2-yl)aniline
CID 114765012
2-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-benzoxazole
CID 164628353
2-pyridin-4-yl-1,3-benzoxazol-4-amine
CID 79022529
4-(4-fluoro-1,3-benzoxazol-2-yl)aniline
CID 163367399
4-(4-amino-1,3-benzoxazol-2-yl)benzaldehyde
CID 87406468
2-(3-bromo-5-chlorophenyl)-1,3-benzoxazol-4-amine
CID 114018373
2-(5-fluoro-2-pyridinyl)-1,3-benzoxazol-4-amine
CID 104638623
2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
CID 81284164
2-[2-(4-chlorophenyl)-1,3-benzoxazol-4-yl]aniline
CID 146670605
5-(6-fluoro-1,3-benzoxazol-2-yl)-2-methoxyaniline
CID 63744297

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methoxyphenyl)-1,3-benzoxazol-4-amine?
The IUPAC name of 2-(4-fluoro-3-methoxyphenyl)-1,3-benzoxazol-4-amine (CID 81284777) is 2-(4-fluoro-3-methoxyphenyl)-1,3-benzoxazol-4-amine.
What is the SMILES notation for 2-(4-fluoro-3-methoxyphenyl)-1,3-benzoxazol-4-amine?
The canonical SMILES for 2-(4-fluoro-3-methoxyphenyl)-1,3-benzoxazol-4-amine is COc1cc(-c2nc3c(N)cccc3o2)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methoxyphenyl)-1,3-benzoxazol-4-amine?
The InChIKey is WTZBJXGFHZRZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c1-18-12-7-8(5-6-9(12)15)14-17-13-10(16)3-2-4-11(13)19-14/h2-7H,16H2,1H3.
What are the key properties of 2-(4-fluoro-3-methoxyphenyl)-1,3-benzoxazol-4-amine?
2-(4-fluoro-3-methoxyphenyl)-1,3-benzoxazol-4-amine 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 2-(4-fluoro-3-methoxyphenyl)-1,3-benzoxazol-4-amine is sourced from PubChem (CID 81284777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).