5-fluoro-1,2-benzoxazol-3-amine

C7H5FN2O — CID 42609147

IUPAC5-fluoro-1,2-benzoxazol-3-amine
SMILESNc1noc2ccc(F)cc12
InChIInChI=1S/C7H5FN2O/c8-4-1-2-6-5(3-4)7(9)10-11-6/h1-3H,(H2,9,10)
InChIKeyMBKJAWUGNSKUIU-UHFFFAOYSA-N
MW152.13 g/mol
LogP1.55
Rot. Bonds

About 5-fluoro-1,2-benzoxazol-3-amine

5-fluoro-1,2-benzoxazol-3-amine (PubChem CID 42609147) has the molecular formula C7H5FN2O and a molecular weight of 152.13 g/mol. Its IUPAC name is 5-fluoro-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name5-fluoro-1,2-benzoxazol-3-amine
PubChem CID42609147
Molecular FormulaC7H5FN2O
Molecular Weight152.13 g/mol
Exact Mass152.04
IUPAC Name5-fluoro-1,2-benzoxazol-3-amine
SMILESNc1noc2ccc(F)cc12
InChIInChI=1S/C7H5FN2O/c8-4-1-2-6-5(3-4)7(9)10-11-6/h1-3H,(H2,9,10)
InChIKeyMBKJAWUGNSKUIU-UHFFFAOYSA-N
XLogP1.55
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.13
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-Benzisoxazole
CID 71073
3-Methyl-1,2-benzoxazole
CID 4068104
1,2-Benzoxazol-3-amine
CID 2779749
N-(1,2-benzoxazol-3-yl)-2,6-difluorobenzamide
CID 8087352
4-Bromo-1,2-benzoxazol-3-amine
CID 45588471
N-(1,2-benzoxazol-3-yl)-4-fluorobenzamide
CID 8087357
N-(1,2-benzoxazol-3-yl)-3-fluorobenzamide
CID 16012966
N-(1,2-benzoxazol-3-yl)-4-fluoro-3-methylbenzenesulfonamide
CID 8085718
3-Ethyl-1,2-benzisoxazole
CID 365023
1,2-Benzisoxazole-3-acetamidoxime hydrochloride
CID 12272670
3-Chloro-1,2-benzoxazole
CID 2779780
6-Chloro-1,2-benzoxazol-3-amine
CID 10855900

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,2-benzoxazol-3-amine?
The IUPAC name of 5-fluoro-1,2-benzoxazol-3-amine (CID 42609147) is 5-fluoro-1,2-benzoxazol-3-amine.
What is the SMILES notation for 5-fluoro-1,2-benzoxazol-3-amine?
The canonical SMILES for 5-fluoro-1,2-benzoxazol-3-amine is Nc1noc2ccc(F)cc12.
What is the InChIKey of 5-fluoro-1,2-benzoxazol-3-amine?
The InChIKey is MBKJAWUGNSKUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2O/c8-4-1-2-6-5(3-4)7(9)10-11-6/h1-3H,(H2,9,10).
What are the key properties of 5-fluoro-1,2-benzoxazol-3-amine?
5-fluoro-1,2-benzoxazol-3-amine has a molecular weight of 152.13 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,2-benzoxazol-3-amine is sourced from PubChem (CID 42609147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).