6-fluoro-5-methoxy-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine

C10H7FN4O3 — CID 134284134

IUPAC6-fluoro-5-methoxy-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine
SMILESCOc1cc2nc(Nc3nnco3)oc2cc1F
InChIInChI=1S/C10H7FN4O3/c1-16-7-3-6-8(2-5(7)11)18-9(13-6)14-10-15-12-4-17-10/h2-4H,1H3,(H,13,14,15)
InChIKeyXPIRTRAOZKDMPX-UHFFFAOYSA-N
MW250.19 g/mol
LogP2.10
Rot. Bonds3

About 6-fluoro-5-methoxy-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine

6-fluoro-5-methoxy-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine (PubChem CID 134284134) has the molecular formula C10H7FN4O3 and a molecular weight of 250.19 g/mol. Its IUPAC name is 6-fluoro-5-methoxy-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name6-fluoro-5-methoxy-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine
PubChem CID134284134
Molecular FormulaC10H7FN4O3
Molecular Weight250.19 g/mol
Exact Mass250.05
IUPAC Name6-fluoro-5-methoxy-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine
SMILESCOc1cc2nc(Nc3nnco3)oc2cc1F
InChIInChI=1S/C10H7FN4O3/c1-16-7-3-6-8(2-5(7)11)18-9(13-6)14-10-15-12-4-17-10/h2-4H,1H3,(H,13,14,15)
InChIKeyXPIRTRAOZKDMPX-UHFFFAOYSA-N
XLogP2.10
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methoxy-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of 6-fluoro-5-methoxy-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine (CID 134284134) is 6-fluoro-5-methoxy-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 6-fluoro-5-methoxy-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 6-fluoro-5-methoxy-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine is COc1cc2nc(Nc3nnco3)oc2cc1F.
What is the InChIKey of 6-fluoro-5-methoxy-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine?
The InChIKey is XPIRTRAOZKDMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4O3/c1-16-7-3-6-8(2-5(7)11)18-9(13-6)14-10-15-12-4-17-10/h2-4H,1H3,(H,13,14,15).
What are the key properties of 6-fluoro-5-methoxy-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine?
6-fluoro-5-methoxy-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine has a molecular weight of 250.19 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methoxy-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 134284134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).