2-(4-aminophenyl)-4-fluoro-1,3-benzoxazol-5-amine

C13H10FN3O — CID 171780781

IUPAC2-(4-aminophenyl)-4-fluoro-1,3-benzoxazol-5-amine
SMILESNc1ccc(-c2nc3c(F)c(N)ccc3o2)cc1
InChIInChI=1S/C13H10FN3O/c14-11-9(16)5-6-10-12(11)17-13(18-10)7-1-3-8(15)4-2-7/h1-6H,15-16H2
InChIKeyISLBJHIOKXMOLV-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.80
Rot. Bonds1

About 2-(4-aminophenyl)-4-fluoro-1,3-benzoxazol-5-amine

2-(4-aminophenyl)-4-fluoro-1,3-benzoxazol-5-amine (PubChem CID 171780781) has the molecular formula C13H10FN3O and a molecular weight of 243.24 g/mol. Its IUPAC name is 2-(4-aminophenyl)-4-fluoro-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-(4-aminophenyl)-4-fluoro-1,3-benzoxazol-5-amine
PubChem CID171780781
Molecular FormulaC13H10FN3O
Molecular Weight243.24 g/mol
Exact Mass243.08
IUPAC Name2-(4-aminophenyl)-4-fluoro-1,3-benzoxazol-5-amine
SMILESNc1ccc(-c2nc3c(F)c(N)ccc3o2)cc1
InChIInChI=1S/C13H10FN3O/c14-11-9(16)5-6-10-12(11)17-13(18-10)7-1-3-8(15)4-2-7/h1-6H,15-16H2
InChIKeyISLBJHIOKXMOLV-UHFFFAOYSA-N
XLogP2.80
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluoro-1,3-benzoxazol-2-yl)aniline
CID 163367399
4-(4,6-difluoro-1,3-benzoxazol-2-yl)aniline
CID 163367418
4-(6-chloro-5-fluoro-1,3-benzoxazol-2-yl)aniline
CID 82233187
2-(4-aminophenyl)-4-fluoro-1H-benzimidazol-5-amine
CID 171780777
4-(6-iodo-1,3-benzoxazol-2-yl)aniline
CID 143883357
4-(5-phenyl-1,3-benzoxazol-2-yl)aniline
CID 3933123
4-[5-[[2-(4-aminophenyl)-1,3-benzoxazol-5-yl]methyl]-1,3-benzoxazol-2-yl]aniline
CID 1160387
5-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine
CID 129201833
4-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]aniline
CID 67334689
2-pyridin-4-yl-1,3-benzoxazol-4-amine
CID 79022529
4-(4-amino-1,3-benzoxazol-2-yl)benzaldehyde
CID 87406468
2-[4-(fluoromethyl)phenyl]-1,3-benzoxazol-5-amine
CID 168857392

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-4-fluoro-1,3-benzoxazol-5-amine?
The IUPAC name of 2-(4-aminophenyl)-4-fluoro-1,3-benzoxazol-5-amine (CID 171780781) is 2-(4-aminophenyl)-4-fluoro-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-(4-aminophenyl)-4-fluoro-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-(4-aminophenyl)-4-fluoro-1,3-benzoxazol-5-amine is Nc1ccc(-c2nc3c(F)c(N)ccc3o2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-4-fluoro-1,3-benzoxazol-5-amine?
The InChIKey is ISLBJHIOKXMOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O/c14-11-9(16)5-6-10-12(11)17-13(18-10)7-1-3-8(15)4-2-7/h1-6H,15-16H2.
What are the key properties of 2-(4-aminophenyl)-4-fluoro-1,3-benzoxazol-5-amine?
2-(4-aminophenyl)-4-fluoro-1,3-benzoxazol-5-amine has a molecular weight of 243.24 g/mol, XLogP of 2.80, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-4-fluoro-1,3-benzoxazol-5-amine is sourced from PubChem (CID 171780781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).