6-fluoro-N-propyl-1,3-benzoxazol-2-amine

C10H11FN2O — CID 123750447

IUPAC6-fluoro-N-propyl-1,3-benzoxazol-2-amine
SMILESCCCNc1nc2ccc(F)cc2o1
InChIInChI=1S/C10H11FN2O/c1-2-5-12-10-13-8-4-3-7(11)6-9(8)14-10/h3-4,6H,2,5H2,1H3,(H,12,13)
InChIKeyKDYOUGJEBNJSMD-UHFFFAOYSA-N
MW194.21 g/mol
LogP2.79
Rot. Bonds3

About 6-fluoro-N-propyl-1,3-benzoxazol-2-amine

6-fluoro-N-propyl-1,3-benzoxazol-2-amine (PubChem CID 123750447) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is 6-fluoro-N-propyl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-propyl-1,3-benzoxazol-2-amine
PubChem CID123750447
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name6-fluoro-N-propyl-1,3-benzoxazol-2-amine
SMILESCCCNc1nc2ccc(F)cc2o1
InChIInChI=1S/C10H11FN2O/c1-2-5-12-10-13-8-4-3-7(11)6-9(8)14-10/h3-4,6H,2,5H2,1H3,(H,12,13)
InChIKeyKDYOUGJEBNJSMD-UHFFFAOYSA-N
XLogP2.79
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-propyl-1,3-benzoxazol-2-amine?
The IUPAC name of 6-fluoro-N-propyl-1,3-benzoxazol-2-amine (CID 123750447) is 6-fluoro-N-propyl-1,3-benzoxazol-2-amine.
What is the SMILES notation for 6-fluoro-N-propyl-1,3-benzoxazol-2-amine?
The canonical SMILES for 6-fluoro-N-propyl-1,3-benzoxazol-2-amine is CCCNc1nc2ccc(F)cc2o1.
What is the InChIKey of 6-fluoro-N-propyl-1,3-benzoxazol-2-amine?
The InChIKey is KDYOUGJEBNJSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c1-2-5-12-10-13-8-4-3-7(11)6-9(8)14-10/h3-4,6H,2,5H2,1H3,(H,12,13).
What are the key properties of 6-fluoro-N-propyl-1,3-benzoxazol-2-amine?
6-fluoro-N-propyl-1,3-benzoxazol-2-amine has a molecular weight of 194.21 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-propyl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 123750447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).